A0A2K5VVJ1_MACFA Loading...

Retinaldehyde dehydrogenase 3

Catalyzes the NAD-dependent oxidation of aldehyde substrates, such as all-trans-retinal and all-trans-13,14-dihydroretinal, to their corresponding carboxylic acids, all-trans-retinoate and all-trans-13,14-dihydroretinoate, respectively. High specificity for all-trans-retinal as substrate, can also accept acetaldehyde as substrate in vitro but with lower affinity. Required for the biosynthesis of normal levels of retinoate in the embryonic ocular and nasal regions; a critical lipid in the embryonic development of the eye and the nasal region.

AlphaFold DB , UniProt , Accession A0A2K5VVJ1, Species MACFA (Macaca fascicularis, Crab-eating macaque), Gene ALDH1A3, Length 512 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.1	Very low	33.8	Very low	242 Å²	242	133.6 Å²	133.6	100%	1.192	84%	0.838	S	S	*	*				0	103.8	0	-72.6	177.1	-168.8	0	0	107
2	A	29.6	Very low	34.6	Very low	101 Å²	101	137.8 Å²	137.8	84%	0.835	84%	0.84	S	S	*	*			trans	-83.3	124.9	177.9	0	0	0	0	0	108.3
3	T	30.4	Very low	35.6	Very low	132 Å²	132	135.2 Å²	135.2	81%	0.81	83%	0.827	S	S	*	*			trans	-108.3	109.3	169.5	42.1	0	0	0	0	108.4
4	T	33	Very low	36.4	Very low	135 Å²	135	137.7 Å²	137.7	83%	0.828	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-66.8	116.6	172.7	43.2	0	0	0	0	110.4
5	N	35.2	Very low	37.3	Very low	163 Å²	163	143.7 Å²	143.7	87%	0.872	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-80.8	117	164.3	-83.4	-15.4	0	0	0	108.7	A7	N5-A7 PolarHBondContact O-N 3.46Å
6	G	30.8	Very low	37.8	Very low	72 Å²	72	146.6 Å²	146.6	74%	0.742	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-65	123.6	177.8	0	0	0	0	0	111.6	V8	G6-V8 PolarHBondContact O-N 3.42Å
7	A	31.4	Very low	38.7	Very low	96 Å²	96	144.6 Å²	144.6	79%	0.793	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-70.5	120.2	162.5	0	0	0	0	0	108.2	N5 E9	N5-A7 PolarHBondContact O-N 3.46Å; A7-E9 PolarHBondContact O-N 3.36Å
8	V	32.3	Very low	40	Very low	126 Å²	126	143.3 Å²	143.3	76%	0.764	83%	0.826	S	S	*	*			trans	-84.8	98.4	168.2	-176.4	0	0	0	0	106.6	G6 N10	G6-V8 PolarHBondContact O-N 3.42Å; V8-N10 PolarHBondContact O-N 3Å; V8-N10 VanDerWaalsContact O-N 3.11Å
9	E	36	Very low	41.9	Very low	185 Å²	185	140.9 Å²	140.9	86%	0.864	83%	0.825	S	S	*	*			trans	-69.5	98.4	166.2	-77.7	-176.3	159.1	0	0	108.7	A7 G11	A7-E9 PolarHBondContact O-N 3.36Å; E9-G11 VanDerWaalsContact C-N 3.26Å; E9-G11 PolarHBondContact O-N 3.11Å
10	N	38	Very low	44	Very low	147 Å²	147	138.8 Å²	138.8	79%	0.786	81%	0.81	S	S	*	*			trans	-73.8	86.6	163.2	-83.7	-19.7	0	0	0	108.3	V8 Q12	V8-N10 PolarHBondContact O-N 3Å; V8-N10 VanDerWaalsContact O-N 3.11Å; N10-Q12 PolarHBondContact O-N 3.03Å
11	G	36.6	Very low	46.2	Very low	71 Å²	71	133.5 Å²	133.5	73%	0.732	78%	0.779	S	S	*	*			trans	-58.8	105.6	165.9	0	0	0	0	0	109.8	E9	E9-G11 VanDerWaalsContact C-N 3.26Å; E9-G11 PolarHBondContact O-N 3.11Å
12	Q	44.3	Very low	48.5	Very low	184 Å²	184	132.7 Å²	132.7	86%	0.86	76%	0.763	S	S	*	*			trans	-67.5	124.1	161.5	-76.9	-174.7	-12.3	0	0	107.1	N10 D14	N10-Q12 PolarHBondContact O-N 3.03Å; Q12-D14 PolarHBondContact O-N 3.43Å
13	P	47.2	Very low	51.2	Low	104 Å²	104	129.7 Å²	129.7	68%	0.675	74%	0.735	S	S	*	*			trans	-62.8	138.1	173.9	25.4	-30.6	0	0	0	108.6	R15	P13-R15 PolarHBondContact O-N 2.66Å
14	D	47.3	Very low	54.2	Low	170 Å²	170	126.3 Å²	126.3	91%	0.909	71%	0.712	S	S	*	*			trans	-49.2	82.1	168.9	-90.8	-36.2	0	0	0	110.4	Q12 K16	Q12-D14 PolarHBondContact O-N 3.43Å; D14-K16 PolarHBondContact O-N 3.01Å
15	R	49	Very low	56.9	Low	227 Å²	227	126.1 Å²	126.1	86%	0.857	70%	0.696	S	S	*	*			trans	-73.9	98.5	170.2	-87.4	-173.4	174.7	-179	-0.4	105.7	P13	P13-R15 PolarHBondContact O-N 2.66Å
16	K	45	Very low	59.5	Low	191 Å²	191	126.1 Å²	126.1	83%	0.83	70%	0.696	S	S	*	*			trans	-43.8	127.9	163.4	-75.7	-176.6	178	179.1	0	107.7	D14	D14-K16 PolarHBondContact O-N 3.01Å
17	P	54	Low	62.5	Low	113 Å²	113	124.3 Å²	124.3	73%	0.734	67%	0.669	S	S	*	*	P	Polyproline II helix	trans	-54.1	139.9	177.1	19.3	-29	0	0	0	108.7	A19	P17-A19 PolarHBondContact O-N 2.63Å
18	P	62.1	Low	65.5	Low	121 Å²	121	126.7 Å²	126.7	79%	0.786	66%	0.663	S	S	*	*	P	Polyproline II helix	trans	-54.4	135.7	179.6	20.7	-29.9	0	0	0	109.2	L20	P18-L20 PolarHBondContact O-N 3.1Å
19	A	76.5	Confident	68.6	Low	98 Å²	98	122.2 Å²	122.2	81%	0.81	64%	0.637	S	S	*	*	P	Polyproline II helix	trans	-59	136.3	179.9	0	0	0	0	0	110	P17	P17-A19 PolarHBondContact O-N 2.63Å
20	L	84.3	Confident	71.6	Confident	98 Å²	98	120.5 Å²	120.5	51%	0.513	63%	0.626	S	S	.	*	P	Polyproline II helix	trans	-57	142.6	175.1	-68.9	173.8	0	0	0	110.2	P18 R22 F131	P18-L20 PolarHBondContact O-N 3.1Å; L20-R22 PolarHBondContact O-N 2.73Å; L20-F131 HydrophobicContact CD2-CE2 3.94Å; L20-F131 HydrophobicContact CD2-CZ 4.08Å
21	P	89.6	Confident	74.5	Confident	27 Å²	27	115.8 Å²	115.8	18%	0.175	60%	0.599	C	S	.	*	P	Polyproline II helix	trans	-59.1	136.3	175.8	24.7	-32.7	0	0	0	109.8	P23 F126 F130 F131	P21-P23 WeakPolarHBondContact O-CD 3.35Å; P21-F126 HydrophobicContact CB-CE1 4.08Å; P21-F126 HydrophobicContact CB-CZ 4.32Å; P21-F126 HydrophobicContact CG-CE1 3.93Å; P21-F126 HydrophobicContact CG-CZ 4.5Å; P21-F130 HydrophobicContact CB-CD2 4.26Å; P21-F130 HydrophobicContact CB-CE1 4.4Å; P21-F130 HydrophobicContact CB-CE2 3.98Å; P21-F130 HydrophobicContact CB-CZ 4.06Å; P21-F130 HydrophobicContact CG-CD1 3.82Å; P21-F130 HydrophobicContact CG-CD2 4.07Å; P21-F130 HydrophobicContact CG-CE1 3.89Å; P21-F130 HydrophobicContact CG-CE2 4.12Å; P21-F130 HydrophobicContact CG-CG 3.91Å; P21-F130 HydrophobicContact CG-CZ 4.04Å; P21-F131 HydrophobicContact CG-CZ 4.24Å
22	R	86.6	Confident	77.5	Confident	225 Å²	225	114 Å²	114	85%	0.849	57%	0.574	S	S	*	*	P	Polyproline II helix	trans	-76.8	125.9	177.5	-61.7	-173.8	-151.9	177.1	7.4	109.1	L20	L20-R22 PolarHBondContact O-N 2.73Å
23	P	86.4	Confident	80.1	Confident	39 Å²	39	108.1 Å²	108.1	25%	0.253	55%	0.545	S	S	.	.	P	Polyproline II helix	trans	-68	138.8	179.9	-11.2	23	0	0	0	112.3	P21 F126 F347	P21-P23 WeakPolarHBondContact O-CD 3.35Å; P23-F126 HydrophobicContact CB-CB 4.5Å; P23-F126 HydrophobicContact CB-CD1 3.79Å; P23-F126 HydrophobicContact CB-CD2 4.33Å; P23-F126 HydrophobicContact CB-CE1 4.02Å; P23-F126 HydrophobicContact CB-CG 3.95Å; P23-F126 HydrophobicContact CB-CZ 4.39Å; P23-F126 HydrophobicContact CG-CD1 3.77Å; P23-F126 HydrophobicContact CG-CE1 4.07Å; P23-F126 HydrophobicContact CG-CG 4.34Å; P23-F347 HydrophobicContact CB-CB 4.44Å; P23-F347 HydrophobicContact CB-CD1 3.56Å; P23-F347 HydrophobicContact CB-CE1 4.32Å; P23-F347 HydrophobicContact CB-CG 4.49Å
24	I	92.3	Very high	82.5	Confident	61 Å²	61	103.2 Å²	103.2	31%	0.313	51%	0.513	S	S	.	.			trans	-96.8	95	179.1	-50.7	170.9	0	0	0	108.7	L27 A112 A116 F347	I24-L27 HydrophobicContact CG2-CB 3.95Å; I24-L27 HydrophobicContact CG2-CD1 4.28Å; I24-A112 HydrophobicContact CD1-CB 4.27Å; I24-A116 HydrophobicContact CB-CB 4.01Å; I24-F347 WeakPolarHBondContact O-CE1 3.24Å
25	R	90.6	Very high	85	Confident	131 Å²	131	95.1 Å²	95.1	49%	0.494	47%	0.47	S	S	.	.	S	Bend	trans	-77.5	-35.4	-174.2	-67.8	179.3	174	-118.5	-7	114	D345 F347	R25-D345 IonicContact CZ-OD2 2.87Å; R25-D345 IonicContact NH1-OD2 2.75Å; R25-D345 PolarHBondContact NH1-OD2 2.86Å; R25-D345 IonicContact NH2-OD2 3.85Å; R25-D345 PolarHBondContact NH2-OD2 3.2Å; R25-F347 HydrophobicContact CG-CB 4.06Å; R25-F347 HydrophobicContact CG-CD1 4.04Å; R25-F347 HydrophobicContact CG-CG 3.99Å; R25-F347 VanDerWaalsContact NH2-C 3.31Å; R25-F347 PolarHBondContact NH2-O 2.78Å; R25-F347 VanDerWaalsContact NH2-O 3.14Å
26	N	89.1	Confident	87.4	Confident	162 Å²	162	84.4 Å²	84.4	87%	0.866	43%	0.43	S	S	*	.	S	Bend	trans	-106.2	56.4	-178.1	-66.5	-11.9	0	0	0	110.3
27	L	94.4	Very high	89.9	Confident	35 Å²	35	78.3 Å²	78.3	18%	0.183	41%	0.406	C	S	.	.			trans	-79.2	126	179.1	-179.2	60.3	0	0	0	110.5	I24 T113 A116 L117	I24-L27 HydrophobicContact CG2-CB 3.95Å; I24-L27 HydrophobicContact CG2-CD1 4.28Å; L27-T113 HydrophobicContact CD1-CG2 4.09Å; L27-T113 HydrophobicContact CD2-CG2 3.88Å; L27-T113 WeakPolarHBondContact CD2-O 3.33Å; L27-A116 HydrophobicContact CD2-CB 3.95Å; L27-L117 HydrophobicContact CD2-CD1 4.49Å; L27-L117 HydrophobicContact CD2-CD2 3.64Å; L27-L117 HydrophobicContact CD2-CG 3.53Å; L27-L117 HydrophobicContact CG-CD2 4.3Å
28	E	94.9	Very high	92.1	Very high	145 Å²	145	73.6 Å²	73.6	68%	0.678	38%	0.375	S	S	*	.			trans	-74.2	126.7	172.8	-174	-174.5	-179.7	0	0	110.9	K30	E28-K30 PolarHBondContact O-N 3.29Å
29	V	97.8	Very high	93.8	Very high	33 Å²	33	73.2 Å²	73.2	20%	0.2	36%	0.363	C	S	.	.			trans	-80.2	112.9	174.4	-178.3	0	0	0	0	109.8	T32 I60 L117 M120 L211	V29-T32 HydrophobicContact CG1-CG2 3.75Å; V29-I60 HydrophobicContact CG2-CG2 3.77Å; V29-L117 HydrophobicContact CG2-CD2 4.21Å; V29-M120 HydrophobicContact CG2-CE 3.84Å; V29-L211 HydrophobicContact CG1-CD1 4.33Å; V29-L211 HydrophobicContact CG1-CD2 3.75Å; V29-L211 HydrophobicContact CG2-CD1 3.99Å
30	K	98	Very high	94.9	Very high	148 Å²	148	72.2 Å²	72.2	64%	0.643	34%	0.338	S	S	*	.			trans	-94.7	-26.6	-175.3	-62.7	-178.3	-179	-180	0	114.6	E28	E28-K30 PolarHBondContact O-N 3.29Å
31	F	98.7	Very high	95.6	Very high	48 Å²	48	69 Å²	69	21%	0.211	32%	0.321	C	S	.	.			trans	-120.2	109.3	-170.5	-57	-68.8	0	0	0	110.5	W40 L214 H215 S218	F31-W40 HydrophobicContact CB-CH2 3.99Å; F31-W40 HydrophobicContact CB-CZ2 4.18Å; F31-W40 HydrophobicContact CB-CZ3 4.48Å; F31-W40 AromaticContact CD1-CE2 3.6Å; F31-W40 HydrophobicContact CD1-CH2 4Å; F31-W40 AromaticContact CD1-CZ2 3.31Å; F31-W40 HydrophobicContact CD1-CZ2 3.31Å; F31-W40 AromaticContact CD1-NE1 3.86Å; F31-W40 AromaticContact CE1-CZ2 3.89Å; F31-W40 HydrophobicContact CE1-CZ2 3.89Å; F31-W40 AromaticContact CE1-NE1 3.93Å; F31-W40 HydrophobicContact CG-CH2 4.21Å; F31-W40 AromaticContact CG-CZ2 3.92Å; F31-W40 HydrophobicContact CG-CZ2 3.92Å; F31-L214 HydrophobicContact CB-CB 4Å; F31-L214 WeakPolarHBondContact O-CD1 3.49Å; F31-H215 HydrophobicContact CD2-CB 4.26Å; F31-H215 AromaticContact CD2-ND1 3.67Å; F31-H215 AromaticContact CE2-ND1 3.68Å; F31-S218 VanDerWaalsContact CE2-OG 3.31Å; F31-S218 WeakPolarHBondContact CE2-OG 3.46Å; F31-S218 WeakPolarHBondContact CZ-OG 3.37Å
32	T	98.8	Very high	96	Very high	35 Å²	35	73.4 Å²	73.4	22%	0.215	34%	0.339	C	S	.	.			trans	-134	9.6	-173.1	57.3	0	0	0	0	113.4	V29 E62 V63 E64	V29-T32 HydrophobicContact CG1-CG2 3.75Å; T32-E62 WeakPolarHBondContact CB-O 3.43Å; T32-V63 WeakPolarHBondContact O-CA 3.23Å; T32-V63 WeakPolarHBondContact O-CG1 3.07Å; T32-E64 PolarHBondContact O-N 3.1Å
33	K	98.9	Very high	96.6	Very high	60 Å²	60	63 Å²	63	26%	0.261	30%	0.301	S	S	.	.	S	Bend	trans	-111.4	164.6	-172.5	-71.8	-165.1	172.4	-163.5	0	112.4	W40 H41 E42 E64 L214	K33-W40 HydrophobicContact CB-CB 3.97Å; K33-W40 HydrophobicContact CB-CD2 4.5Å; K33-W40 HydrophobicContact CB-CE3 3.89Å; K33-W40 HydrophobicContact CD-CB 4.24Å; K33-W40 VanDerWaalsContact O-CZ3 3.24Å; K33-W40 WeakPolarHBondContact O-CZ3 3.46Å; K33-H41 WeakPolarHBondContact CB-O 3.4Å; K33-E42 HydrophobicContact CD-CG 4.36Å; K33-E42 IonicContact NZ-OE1 2.67Å; K33-E42 PolarHBondContact NZ-OE1 3.49Å; K33-E64 HydrophobicContact CB-CG 4.16Å; K33-E64 HydrophobicContact CG-CG 3.9Å; K33-L214 WeakPolarHBondContact O-CD2 3.47Å
34	I	98.9	Very high	97.1	Very high	0 Å²	0	68 Å²	68	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	135.6	171.8	-68.2	159.2	0	0	0	109	I36 W40 H41 E64 D70 V233 P234	I34-I36 HydrophobicContact CG2-CD1 3.55Å; I34-I36 HydrophobicContact CG2-CG1 3.76Å; I34-W40 CarbonylContact O-C 3.54Å; I34-W40 WeakPolarHBondContact O-CA 3.44Å; I34-H41 HydrophobicContact CB-CB 4.34Å; I34-H41 PolarHBondContact N-O 3.19Å; I34-H41 PolarHBondContact O-N 2.92Å; I34-E64 HydrophobicContact CD1-CB 4.2Å; I34-E64 HydrophobicContact CG1-CB 4.03Å; I34-D70 HydrophobicContact CD1-CB 4Å; I34-V233 HydrophobicContact CG2-CG2 4.27Å; I34-P234 HydrophobicContact CG1-CG 4.26Å
35	F	98.9	Very high	97.4	Very high	0 Å²	0	68 Å²	68	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	108.2	-179.9	-176.1	-101.8	0	0	0	110.5	N38 E39 W40 G217 K221 V230 N231 I232	F35-N38 VanDerWaalsContact CZ-CA 3.49Å; F35-N38 HydrophobicContact CZ-CB 4.17Å; F35-N38 WeakPolarHBondContact CZ-OD1 3.33Å; F35-E39 WeakPolarHBondContact CA-O 3.43Å; F35-W40 HydrophobicContact CB-CE3 4.08Å; F35-W40 HydrophobicContact CB-CH2 4.12Å; F35-W40 HydrophobicContact CB-CZ3 3.66Å; F35-W40 HydrophobicContact CD2-CD2 4.18Å; F35-W40 HydrophobicContact CD2-CE3 4.14Å; F35-W40 AromaticContact CD2-CH2 3.77Å; F35-W40 HydrophobicContact CD2-CH2 3.77Å; F35-W40 AromaticContact CD2-CZ2 3.82Å; F35-W40 HydrophobicContact CD2-CZ2 3.82Å; F35-W40 AromaticContact CD2-CZ3 3.96Å; F35-W40 HydrophobicContact CD2-CZ3 3.96Å; F35-W40 HydrophobicContact CE2-CZ2 4.32Å; F35-W40 HydrophobicContact CG-CH2 4.28Å; F35-W40 HydrophobicContact CG-CZ3 4.25Å; F35-G217 WeakPolarHBondContact CE2-O 3.24Å; F35-G217 WeakPolarHBondContact CZ-O 3.36Å; F35-K221 HydrophobicContact CE2-CB 4.35Å; F35-K221 HydrophobicContact CZ-CB 4.19Å; F35-V230 WeakPolarHBondContact CE1-O 3.23Å; F35-N231 CarbonylContact O-C 3.39Å; F35-N231 WeakPolarHBondContact O-CA 3.42Å; F35-I232 HydrophobicContact CB-CB 4.09Å; F35-I232 HydrophobicContact CB-CG1 4.48Å; F35-I232 HydrophobicContact CD1-CD1 4.39Å; F35-I232 HydrophobicContact CD1-CG1 4.37Å; F35-I232 PolarHBondContact N-O 3.21Å; F35-I232 PolarHBondContact O-N 2.97Å
36	I	98.9	Very high	97.8	Very high	2 Å²	2	64.2 Å²	64.2	1%	0.01	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	135.4	178.7	-65	166.3	0	0	0	108.3	I34 N38 E39 H41 K73 A74 A77 N231	I34-I36 HydrophobicContact CG2-CD1 3.55Å; I34-I36 HydrophobicContact CG2-CG1 3.76Å; I36-N38 PolarHBondContact O-N 3.15Å; I36-E39 PolarHBondContact N-O 3.06Å; I36-E39 WeakPolarHBondContact O-CB 3.46Å; I36-E39 PolarHBondContact O-N 2.89Å; I36-H41 PolarHBondContact O-NE2 2.72Å; I36-K73 HydrophobicContact CD1-CB 4.23Å; I36-K73 HydrophobicContact CD1-CD 4.05Å; I36-K73 HydrophobicContact CD1-CG 4.15Å; I36-K73 HydrophobicContact CG2-CG 4.49Å; I36-A74 HydrophobicContact CD1-CB 3.84Å; I36-A74 HydrophobicContact CG1-CB 3.86Å; I36-A77 HydrophobicContact CG2-CB 3.63Å; I36-N231 WeakPolarHBondContact CA-OD1 3.48Å; I36-N231 HydrophobicContact CG1-CB 4.3Å
37	N	98.8	Very high	98.2	Very high	63 Å²	63	62 Å²	62	34%	0.337	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.4	37.1	-179.2	-81.4	-27.4	0	0	0	114.2	E39 A77 P227 G228 N231	N37-E39 PolarHBondContact O-N 3.03Å; N37-A77 WeakPolarHBondContact OD1-CB 3.33Å; N37-P227 HydrophobicContact CB-CB 4.27Å; N37-G228 WeakPolarHBondContact OD1-CA 3.46Å; N37-G228 PolarHBondContact OD1-N 3.24Å; N37-N231 PolarHBondContact N-OD1 3.44Å
38	N	98.9	Very high	98.4	Very high	15 Å²	15	64.7 Å²	64.7	8%	0.08	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	60.4	24.9	-175.3	-63.2	-5.2	0	0	0	114.3	F35 I36 K221 F225	F35-N38 VanDerWaalsContact CZ-CA 3.49Å; F35-N38 HydrophobicContact CZ-CB 4.17Å; F35-N38 WeakPolarHBondContact CZ-OD1 3.33Å; I36-N38 PolarHBondContact O-N 3.15Å; N38-K221 HydrophobicContact CB-CB 4.36Å; N38-K221 HydrophobicContact CB-CD 4.13Å; N38-K221 HydrophobicContact CB-CG 4.04Å; N38-K221 VanDerWaalsContact O-CD 3.3Å; N38-K221 WeakPolarHBondContact O-CD 3.11Å; N38-K221 VanDerWaalsContact O-CE 3.3Å; N38-K221 WeakPolarHBondContact O-CE 3.37Å; N38-K221 PolarHBondContact O-NZ 2.68Å; N38-F225 PolarHBondContact ND2-O 3.23Å
39	E	98.9	Very high	98.6	Very high	113 Å²	113	58.4 Å²	58.4	53%	0.528	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	154.2	179.3	-67.1	175.5	169.1	0	0	110.9	F35 I36 N37 H41	F35-E39 WeakPolarHBondContact CA-O 3.43Å; I36-E39 PolarHBondContact N-O 3.06Å; I36-E39 WeakPolarHBondContact O-CB 3.46Å; I36-E39 PolarHBondContact O-N 2.89Å; N37-E39 PolarHBondContact O-N 3.03Å; E39-H41 WeakPolarHBondContact CB-NE2 3.5Å; E39-H41 PolarHBondContact O-CD2 3.06Å; E39-H41 PolarHBondContact O-NE2 3.39Å; E39-H41 IonicContact OE2-CE1 3.54Å; E39-H41 IonicContact OE2-NE2 3.86Å
40	W	98.9	Very high	98.7	Very high	76 Å²	76	58.1 Å²	58.1	29%	0.288	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	121.2	-179.5	-65.2	112.7	0	0	0	110.3	F31 K33 I34 F35 L214	F31-W40 HydrophobicContact CB-CH2 3.99Å; F31-W40 HydrophobicContact CB-CZ2 4.18Å; F31-W40 HydrophobicContact CB-CZ3 4.48Å; F31-W40 AromaticContact CD1-CE2 3.6Å; F31-W40 HydrophobicContact CD1-CH2 4Å; F31-W40 AromaticContact CD1-CZ2 3.31Å; F31-W40 HydrophobicContact CD1-CZ2 3.31Å; F31-W40 AromaticContact CD1-NE1 3.86Å; F31-W40 AromaticContact CE1-CZ2 3.89Å; F31-W40 HydrophobicContact CE1-CZ2 3.89Å; F31-W40 AromaticContact CE1-NE1 3.93Å; F31-W40 HydrophobicContact CG-CH2 4.21Å; F31-W40 AromaticContact CG-CZ2 3.92Å; F31-W40 HydrophobicContact CG-CZ2 3.92Å; K33-W40 HydrophobicContact CB-CB 3.97Å; K33-W40 HydrophobicContact CB-CD2 4.5Å; K33-W40 HydrophobicContact CB-CE3 3.89Å; K33-W40 HydrophobicContact CD-CB 4.24Å; K33-W40 VanDerWaalsContact O-CZ3 3.24Å; K33-W40 WeakPolarHBondContact O-CZ3 3.46Å; I34-W40 CarbonylContact O-C 3.54Å; I34-W40 WeakPolarHBondContact O-CA 3.44Å; F35-W40 HydrophobicContact CB-CE3 4.08Å; F35-W40 HydrophobicContact CB-CH2 4.12Å; F35-W40 HydrophobicContact CB-CZ3 3.66Å; F35-W40 HydrophobicContact CD2-CD2 4.18Å; F35-W40 HydrophobicContact CD2-CE3 4.14Å; F35-W40 AromaticContact CD2-CH2 3.77Å; F35-W40 HydrophobicContact CD2-CH2 3.77Å; F35-W40 AromaticContact CD2-CZ2 3.82Å; F35-W40 HydrophobicContact CD2-CZ2 3.82Å; F35-W40 AromaticContact CD2-CZ3 3.96Å; F35-W40 HydrophobicContact CD2-CZ3 3.96Å; F35-W40 HydrophobicContact CE2-CZ2 4.32Å; F35-W40 HydrophobicContact CG-CH2 4.28Å; F35-W40 HydrophobicContact CG-CZ3 4.25Å; W40-L214 HydrophobicContact CH2-CB 4.36Å; W40-L214 VanDerWaalsContact CH2-O 3.25Å; W40-L214 WeakPolarHBondContact CH2-O 3.28Å; W40-L214 HydrophobicContact CZ3-CB 4.41Å; W40-L214 HydrophobicContact CZ3-CD2 4.22Å
41	H	98.9	Very high	98.7	Very high	32 Å²	32	51.1 Å²	51.1	15%	0.148	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	144.7	-174	-56.3	-91.5	0	0	0	111.1	K33 I34 I36 E39 K73	K33-H41 WeakPolarHBondContact CB-O 3.4Å; I34-H41 HydrophobicContact CB-CB 4.34Å; I34-H41 PolarHBondContact N-O 3.19Å; I34-H41 PolarHBondContact O-N 2.92Å; I36-H41 PolarHBondContact O-NE2 2.72Å; E39-H41 WeakPolarHBondContact CB-NE2 3.5Å; E39-H41 PolarHBondContact O-CD2 3.06Å; E39-H41 PolarHBondContact O-NE2 3.39Å; E39-H41 IonicContact OE2-CE1 3.54Å; E39-H41 IonicContact OE2-NE2 3.86Å; H41-K73 PolarHBondContact CE1-NZ 2.85Å; H41-K73 VanDerWaalsContact CE1-NZ 3.3Å; H41-K73 PolarHBondContact ND1-NZ 2.57Å
42	E	98.8	Very high	98.6	Very high	118 Å²	118	55.1 Å²	55.1	55%	0.551	27%	0.274	S	S	*	.			trans	-75.2	152.9	162.8	-65.6	178.8	179.4	0	0	109.6	K33	K33-E42 HydrophobicContact CD-CG 4.36Å; K33-E42 IonicContact NZ-OE1 2.67Å; K33-E42 PolarHBondContact NZ-OE1 3.49Å
43	S	98.6	Very high	98.6	Very high	8 Å²	8	54.4 Å²	54.4	6%	0.056	27%	0.269	C	S	.	.			trans	-61.4	145.5	176.8	68	0	0	0	0	110.6	S45 G46 K47 E64 E65	S43-S45 PolarHBondContact O-N 2.74Å; S43-S45 VanDerWaalsContact O-N 3.14Å; S43-S45 PolarHBondContact OG-OG 3.38Å; S43-G46 PolarHBondContact O-N 2.96Å; S43-G46 WeakPolarHBondContact OG-CA 3.2Å; S43-G46 PolarHBondContact OG-N 3.25Å; S43-G46 VanDerWaalsContact OG-N 3.09Å; S43-K47 PolarHBondContact OG-N 3.19Å; S43-K47 PolarHBondContact OG-O 3.5Å; S43-E64 PolarHBondContact N-OE2 2.87Å; S43-E65 WeakPolarHBondContact CB-O 3.08Å
44	K	98.2	Very high	98.6	Very high	142 Å²	142	51.7 Å²	51.7	62%	0.617	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-27	175.9	-76.6	-68.1	-176.2	179.3	0	113	P69 D70	K44-P69 HydrophobicContact CB-CB 4.08Å; K44-P69 HydrophobicContact CG-CB 4.11Å; K44-D70 VanDerWaalsContact CG-OD1 3.28Å; K44-D70 WeakPolarHBondContact CG-OD1 3.19Å; K44-D70 PolarHBondContact N-OD1 3.31Å
45	S	97.5	Very high	98.4	Very high	62 Å²	62	52.5 Å²	52.5	43%	0.434	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-15.5	176.4	70.3	0	0	0	0	113.6	S43 K47	S43-S45 PolarHBondContact O-N 2.74Å; S43-S45 VanDerWaalsContact O-N 3.14Å; S43-S45 PolarHBondContact OG-OG 3.38Å; S45-K47 PolarHBondContact O-N 3.04Å; S45-K47 WeakPolarHBondContact OG-CB 3.27Å; S45-K47 WeakPolarHBondContact OG-CG 3.25Å; S45-K47 PolarHBondContact OG-N 3.01Å; S45-K47 VanDerWaalsContact OG-N 3.16Å
46	G	98.3	Very high	98.3	Very high	51 Å²	51	54.8 Å²	54.8	53%	0.526	28%	0.277	S	S	.	.			trans	71.2	1.5	-169.1	0	0	0	0	0	114.3	S43	S43-G46 PolarHBondContact O-N 2.96Å; S43-G46 WeakPolarHBondContact OG-CA 3.2Å; S43-G46 PolarHBondContact OG-N 3.25Å; S43-G46 VanDerWaalsContact OG-N 3.09Å
47	K	98.6	Very high	98.1	Very high	117 Å²	117	58.8 Å²	58.8	51%	0.509	30%	0.298	S	S	.	.			trans	-77.3	155.1	178.9	-65.3	179.9	-179.2	177.5	0	111.7	S43 S45 E65	S43-K47 PolarHBondContact OG-N 3.19Å; S43-K47 PolarHBondContact OG-O 3.5Å; S45-K47 PolarHBondContact O-N 3.04Å; S45-K47 WeakPolarHBondContact OG-CB 3.27Å; S45-K47 WeakPolarHBondContact OG-CG 3.25Å; S45-K47 PolarHBondContact OG-N 3.01Å; S45-K47 VanDerWaalsContact OG-N 3.16Å; K47-E65 HydrophobicContact CB-CB 3.96Å; K47-E65 PolarHBondContact O-N 2.8Å
48	K	98.9	Very high	98	Very high	91 Å²	91	61.5 Å²	61.5	40%	0.396	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	153.9	173.2	-51.4	-169.4	-166.6	-140.3	0	109.3	E62 V63 E64	K48-E62 HydrophobicContact CB-CB 4.14Å; K48-E62 HydrophobicContact CD-CB 4.24Å; K48-V63 CarbonylContact C-O 3.57Å; K48-V63 WeakPolarHBondContact CA-O 3.28Å; K48-V63 VanDerWaalsContact CB-O 3.3Å; K48-V63 WeakPolarHBondContact CB-O 3.36Å; K48-E64 WeakPolarHBondContact CE-OE1 3.47Å; K48-E64 IonicContact NZ-OE1 3.67Å; K48-E64 PolarHBondContact NZ-OE1 2.85Å
49	F	98.8	Very high	97.9	Very high	13 Å²	13	66.1 Å²	66.1	6%	0.057	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	151.6	170.7	70.1	-84.7	0	0	0	110.4	E62 V63 E64 E65 E207 P210 P234 F236	F49-E62 CarbonylContact O-C 3.42Å; F49-E62 WeakPolarHBondContact O-CA 3.44Å; F49-V63 HydrophobicContact CE1-CB 4.1Å; F49-V63 HydrophobicContact CE1-CG1 4.1Å; F49-V63 HydrophobicContact CE2-CB 4.42Å; F49-V63 HydrophobicContact CZ-CB 3.99Å; F49-V63 HydrophobicContact CZ-CG1 4.05Å; F49-V63 PolarHBondContact N-O 2.89Å; F49-V63 PolarHBondContact O-N 3.24Å; F49-E64 WeakPolarHBondContact CE1-O 3.34Å; F49-E65 HydrophobicContact CD1-CB 3.87Å; F49-E65 HydrophobicContact CD1-CG 4.08Å; F49-E207 HydrophobicContact CE2-CB 4.22Å; F49-E207 VanDerWaalsContact CE2-O 3.23Å; F49-E207 WeakPolarHBondContact CE2-O 3.35Å; F49-P210 HydrophobicContact CE2-CG 4.25Å; F49-P210 HydrophobicContact CZ-CB 4.45Å; F49-P210 HydrophobicContact CZ-CG 4.23Å; F49-P234 HydrophobicContact CE1-CB 4.17Å; F49-P234 HydrophobicContact CZ-CB 4.15Å; F49-F236 HydrophobicContact CB-CE2 3.77Å; F49-F236 HydrophobicContact CB-CZ 3.91Å; F49-F236 HydrophobicContact CD1-CE2 4.34Å; F49-F236 HydrophobicContact CD2-CZ 4.38Å; F49-F236 AromaticContact CG-CE2 3.99Å; F49-F236 HydrophobicContact CG-CE2 3.99Å; F49-F236 HydrophobicContact CG-CZ 4.16Å
50	A	98.6	Very high	97.9	Very high	26 Å²	26	62.6 Å²	62.6	22%	0.215	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	140.2	178.3	0	0	0	0	0	111.1	Y52 K59 C61	A50-Y52 HydrophobicContact CB-CE2 3.7Å; A50-K59 HydrophobicContact CB-CD 3.63Å; A50-K59 HydrophobicContact CB-CG 3.96Å; A50-C61 WeakPolarHBondContact CA-O 3.45Å
51	T	98.1	Very high	97.9	Very high	2 Å²	2	60 Å²	60	1%	0.012	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	149.5	161.5	-170.8	0	0	0	0	110.1	I60 C61 D121 Q208 P210 L211	T51-I60 HydrophobicContact CG2-CB 4.11Å; T51-I60 HydrophobicContact CG2-CD1 4.29Å; T51-I60 PolarHBondContact O-N 3.43Å; T51-C61 PolarHBondContact N-O 3.04Å; T51-C61 VanDerWaalsContact N-O 3.08Å; T51-D121 WeakPolarHBondContact CG2-OD1 3.05Å; T51-D121 PolarHBondContact OG1-OD1 2.84Å; T51-Q208 PolarHBondContact OG1-O 3.45Å; T51-Q208 VanDerWaalsContact OG1-O 3.07Å; T51-P210 HydrophobicContact CG2-CG 4.5Å; T51-L211 HydrophobicContact CG2-CD1 3.98Å; T51-L211 HydrophobicContact CG2-CD2 4.1Å; T51-L211 HydrophobicContact CG2-CG 4.05Å
52	Y	98.4	Very high	97.9	Very high	132 Å²	132	63 Å²	63	52%	0.518	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	145.3	-167.9	-63.7	-92.4	0	0	0	110.8	A50 P54 E58 K59	A50-Y52 HydrophobicContact CB-CE2 3.7Å; Y52-P54 VanDerWaalsContact O-CD 3.31Å; Y52-P54 WeakPolarHBondContact O-CD 3.4Å; Y52-E58 WeakPolarHBondContact CA-O 3.36Å; Y52-K59 HydrophobicContact CD1-CB 4.2Å; Y52-K59 HydrophobicContact CE1-CB 4.06Å
53	N	98.1	Very high	97.9	Very high	20 Å²	20	57.3 Å²	57.3	11%	0.107	29%	0.293	C	S	.	.			trans	-82.7	113.9	171.3	-179.3	-24	0	0	0	108.9	S55 T56 L57 E58 I60 M120	N53-S55 PolarHBondContact ND2-OG 3.24Å; N53-S55 PolarHBondContact O-N 2.67Å; N53-S55 VanDerWaalsContact O-N 3.14Å; N53-S55 WeakPolarHBondContact OD1-CB 3.42Å; N53-S55 PolarHBondContact OD1-N 2.99Å; N53-S55 PolarHBondContact OD1-OG 3.43Å; N53-T56 PolarHBondContact O-N 2.91Å; N53-L57 VanDerWaalsContact O-CA 3.3Å; N53-L57 WeakPolarHBondContact O-CA 3.44Å; N53-L57 PolarHBondContact O-N 3.47Å; N53-E58 PolarHBondContact N-O 2.99Å; N53-I60 HydrophobicContact CB-CD1 4.04Å; N53-I60 HydrophobicContact CB-CG1 3.84Å; N53-M120 WeakPolarHBondContact CA-O 3.41Å; N53-M120 VanDerWaalsContact CG-O 3.31Å; N53-M120 PolarHBondContact OD1-O 3.39Å
54	P	97.7	Very high	97.9	Very high	3 Å²	3	57 Å²	57	2%	0.019	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-16.6	-176.7	24.2	-32.3	0	0	0	114.3	Y52 T122 P355 Q356 I357 L391	Y52-P54 VanDerWaalsContact O-CD 3.31Å; Y52-P54 WeakPolarHBondContact O-CD 3.4Å; P54-T122 VanDerWaalsContact CG-C 3.41Å; P54-T122 WeakPolarHBondContact CG-O 3.14Å; P54-P355 HydrophobicContact CB-CB 4.22Å; P54-P355 HydrophobicContact CB-CG 3.77Å; P54-P355 HydrophobicContact CG-CG 3.9Å; P54-P355 WeakPolarHBondContact O-CB 3.43Å; P54-Q356 WeakPolarHBondContact CB-O 3.34Å; P54-I357 WeakPolarHBondContact CB-O 3.31Å; P54-L391 HydrophobicContact CB-CD1 4.33Å; P54-L391 PolarHBondContact O-N 3.16Å
55	S	96.4	Very high	97.9	Very high	16 Å²	16	52 Å²	52	11%	0.112	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-27.2	179.4	67.7	0	0	0	0	112.4	N53 G390	N53-S55 PolarHBondContact ND2-OG 3.24Å; N53-S55 PolarHBondContact O-N 2.67Å; N53-S55 VanDerWaalsContact O-N 3.14Å; N53-S55 WeakPolarHBondContact OD1-CB 3.42Å; N53-S55 PolarHBondContact OD1-N 2.99Å; N53-S55 PolarHBondContact OD1-OG 3.43Å; S55-G390 WeakPolarHBondContact O-CA 3.37Å
56	T	95.3	Very high	98	Very high	48 Å²	48	49 Å²	49	29%	0.294	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-117.3	-15.6	-178.1	64.1	0	0	0	0	113.6	N53 E58	N53-T56 PolarHBondContact O-N 2.91Å; T56-E58 PolarHBondContact O-N 3.42Å; T56-E58 WeakPolarHBondContact OG1-CB 3.49Å; T56-E58 PolarHBondContact OG1-N 2.93Å
57	L	95.3	Very high	98	Very high	87 Å²	87	49.3 Å²	49.3	46%	0.455	24%	0.239	S	C	.	.			trans	63.5	11	-168.4	-56.8	175.1	0	0	0	114.2	N53 L391	N53-L57 VanDerWaalsContact O-CA 3.3Å; N53-L57 WeakPolarHBondContact O-CA 3.44Å; N53-L57 PolarHBondContact O-N 3.47Å; L57-L391 HydrophobicContact CD2-CD1 3.94Å; L57-L391 HydrophobicContact CD2-CD2 3.91Å; L57-L391 HydrophobicContact CD2-CG 3.65Å
58	E	96.2	Very high	98	Very high	119 Å²	119	48.2 Å²	48.2	56%	0.556	23%	0.234	S	C	*	.			trans	-83.9	144.9	-179	-64.2	174.3	169	0	0	110.8	Y52 N53 T56 I60	Y52-E58 WeakPolarHBondContact CA-O 3.36Å; N53-E58 PolarHBondContact N-O 2.99Å; T56-E58 PolarHBondContact O-N 3.42Å; T56-E58 WeakPolarHBondContact OG1-CB 3.49Å; T56-E58 PolarHBondContact OG1-N 2.93Å; E58-I60 PolarHBondContact O-N 2.93Å
59	K	97.9	Very high	98	Very high	112 Å²	112	47.1 Å²	47.1	49%	0.487	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	126	171.7	179.8	171.3	77.2	174	0	109	A50 Y52 E62	A50-K59 HydrophobicContact CB-CD 3.63Å; A50-K59 HydrophobicContact CB-CG 3.96Å; Y52-K59 HydrophobicContact CD1-CB 4.2Å; Y52-K59 HydrophobicContact CE1-CB 4.06Å; K59-E62 HydrophobicContact CD-CG 4.31Å; K59-E62 IonicContact NZ-OE1 3.38Å; K59-E62 PolarHBondContact NZ-OE1 3.45Å
60	I	98.3	Very high	98	Very high	39 Å²	39	46.7 Å²	46.7	20%	0.2	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	-59	173.9	-60	162.3	0	0	0	108.9	V29 T51 N53 E58 M120 D121 L211	V29-I60 HydrophobicContact CG2-CG2 3.77Å; T51-I60 HydrophobicContact CG2-CB 4.11Å; T51-I60 HydrophobicContact CG2-CD1 4.29Å; T51-I60 PolarHBondContact O-N 3.43Å; N53-I60 HydrophobicContact CB-CD1 4.04Å; N53-I60 HydrophobicContact CB-CG1 3.84Å; E58-I60 PolarHBondContact O-N 2.93Å; I60-M120 HydrophobicContact CD1-CG 3.87Å; I60-M120 HydrophobicContact CG1-CG 4.08Å; I60-M120 HydrophobicContact CG1-SD 4.5Å; I60-M120 HydrophobicContact CG2-CE 3.74Å; I60-M120 HydrophobicContact CG2-SD 4.02Å; I60-D121 HydrophobicContact CD1-CB 4.4Å; I60-D121 WeakPolarHBondContact CD1-OD1 3.38Å; I60-L211 HydrophobicContact CD1-CD1 4.42Å; I60-L211 HydrophobicContact CG2-CD1 3.87Å
61	C	98.6	Very high	98	Very high	23 Å²	23	45.4 Å²	45.4	16%	0.155	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.9	179.4	178.3	70.5	0	0	0	0	111.2	A50 T51	A50-C61 WeakPolarHBondContact CA-O 3.45Å; T51-C61 PolarHBondContact N-O 3.04Å; T51-C61 VanDerWaalsContact N-O 3.08Å
62	E	98.8	Very high	98.1	Very high	93 Å²	93	47.2 Å²	47.2	44%	0.435	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	142.9	168.3	-73.7	171.3	-166.5	0	0	110.3	T32 K48 F49 K59	T32-E62 WeakPolarHBondContact CB-O 3.43Å; K48-E62 HydrophobicContact CB-CB 4.14Å; K48-E62 HydrophobicContact CD-CB 4.24Å; F49-E62 CarbonylContact O-C 3.42Å; F49-E62 WeakPolarHBondContact O-CA 3.44Å; K59-E62 HydrophobicContact CD-CG 4.31Å; K59-E62 IonicContact NZ-OE1 3.38Å; K59-E62 PolarHBondContact NZ-OE1 3.45Å
63	V	98.9	Very high	98.1	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	142.8	-179.8	179.7	0	0	0	0	108.5	T32 K48 F49 E65 P210 L211 L214 P234	T32-V63 WeakPolarHBondContact O-CA 3.23Å; T32-V63 WeakPolarHBondContact O-CG1 3.07Å; K48-V63 CarbonylContact C-O 3.57Å; K48-V63 WeakPolarHBondContact CA-O 3.28Å; K48-V63 VanDerWaalsContact CB-O 3.3Å; K48-V63 WeakPolarHBondContact CB-O 3.36Å; F49-V63 HydrophobicContact CE1-CB 4.1Å; F49-V63 HydrophobicContact CE1-CG1 4.1Å; F49-V63 HydrophobicContact CE2-CB 4.42Å; F49-V63 HydrophobicContact CZ-CB 3.99Å; F49-V63 HydrophobicContact CZ-CG1 4.05Å; F49-V63 PolarHBondContact N-O 2.89Å; F49-V63 PolarHBondContact O-N 3.24Å; V63-E65 PolarHBondContact O-N 3.33Å; V63-P210 HydrophobicContact CB-CG 4.46Å; V63-P210 HydrophobicContact CG1-CB 4.39Å; V63-P210 HydrophobicContact CG1-CG 4.41Å; V63-P210 HydrophobicContact CG2-CG 3.89Å; V63-L211 HydrophobicContact CG2-CD2 4.01Å; V63-L214 HydrophobicContact CG1-CD1 3.78Å; V63-P234 HydrophobicContact CG1-CB 3.69Å; V63-P234 HydrophobicContact CG1-CG 3.64Å
64	E	98.9	Very high	98.1	Very high	2 Å²	2	43 Å²	43	1%	0.009	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.5	130.2	176.8	-62.4	-62.6	149.5	0	0	111.3	T32 K33 I34 S43 K48 F49 G66 P234	T32-E64 PolarHBondContact O-N 3.1Å; K33-E64 HydrophobicContact CB-CG 4.16Å; K33-E64 HydrophobicContact CG-CG 3.9Å; I34-E64 HydrophobicContact CD1-CB 4.2Å; I34-E64 HydrophobicContact CG1-CB 4.03Å; S43-E64 PolarHBondContact N-OE2 2.87Å; K48-E64 WeakPolarHBondContact CE-OE1 3.47Å; K48-E64 IonicContact NZ-OE1 3.67Å; K48-E64 PolarHBondContact NZ-OE1 2.85Å; F49-E64 WeakPolarHBondContact CE1-O 3.34Å; E64-G66 PolarHBondContact O-N 2.98Å; E64-P234 WeakPolarHBondContact O-CG 3.5Å
65	E	98.9	Very high	98.2	Very high	35 Å²	35	42.8 Å²	42.8	16%	0.164	22%	0.216	C	C	.	.			trans	-91.1	93	179.5	-170.1	-174.6	142.7	0	0	109.2	S43 K47 F49 V63 F236	S43-E65 WeakPolarHBondContact CB-O 3.08Å; K47-E65 HydrophobicContact CB-CB 3.96Å; K47-E65 PolarHBondContact O-N 2.8Å; F49-E65 HydrophobicContact CD1-CB 3.87Å; F49-E65 HydrophobicContact CD1-CG 4.08Å; V63-E65 PolarHBondContact O-N 3.33Å; E65-F236 HydrophobicContact CG-CD2 4.19Å; E65-F236 HydrophobicContact CG-CE2 4.2Å
66	G	98.9	Very high	98.3	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.237	C	C	.	.			trans	-61.1	149.9	172.4	0	0	0	0	0	111.6	E64 P234 V240	E64-G66 PolarHBondContact O-N 2.98Å; G66-P234 WeakPolarHBondContact CA-O 3.31Å; G66-P234 PolarHBondContact N-O 3.2Å; G66-V240 WeakPolarHBondContact O-CG2 3.28Å
67	D	98.8	Very high	98.5	Very high	58 Å²	58	45.6 Å²	45.6	31%	0.31	22%	0.224	S	C	.	.			trans	-137.6	-174	170.1	-158.9	-10.7	0	0	0	109.5	P69 D70 V71 T239	D67-P69 VanDerWaalsContact C-CD 3.43Å; D67-P69 VanDerWaalsContact C-N 3.32Å; D67-D70 PolarHBondContact N-OD2 3.39Å; D67-D70 WeakPolarHBondContact O-CB 3Å; D67-D70 PolarHBondContact O-N 3.36Å; D67-V71 PolarHBondContact O-N 2.97Å; D67-V71 VanDerWaalsContact O-N 3.09Å; D67-T239 WeakPolarHBondContact OD1-CB 3.25Å
68	K	98.8	Very high	98.7	Very high	93 Å²	93	41.5 Å²	41.5	40%	0.404	20%	0.203	S	C	.	.	H	α-helix	trans	-46.4	-45.8	179.9	173.3	168.8	170.5	42	0	113.8	D70 V71 D72 A243	K68-D70 VanDerWaalsContact C-N 3.26Å; K68-D70 PolarHBondContact O-N 3.03Å; K68-V71 WeakPolarHBondContact O-CB 3.3Å; K68-V71 PolarHBondContact O-N 3.02Å; K68-V71 VanDerWaalsContact O-N 3.15Å; K68-D72 VanDerWaalsContact NZ-CG 3.26Å; K68-D72 IonicContact NZ-OD1 2.76Å; K68-D72 PolarHBondContact NZ-OD1 3.47Å; K68-D72 IonicContact NZ-OD2 2.89Å; K68-D72 PolarHBondContact NZ-OD2 2.92Å; K68-D72 PolarHBondContact O-N 2.96Å; K68-A243 HydrophobicContact CB-CB 3.93Å; K68-A243 HydrophobicContact CG-CB 4.21Å
69	P	98.9	Very high	98.8	Very high	68 Å²	68	38.5 Å²	38.5	44%	0.442	19%	0.189	S	C	.	.	H	α-helix	trans	-61.9	-31.2	178.9	-24.7	36.3	0	0	0	114.2	K44 D67 K73	K44-P69 HydrophobicContact CB-CB 4.08Å; K44-P69 HydrophobicContact CG-CB 4.11Å; D67-P69 VanDerWaalsContact C-CD 3.43Å; D67-P69 VanDerWaalsContact C-N 3.32Å; P69-K73 PolarHBondContact O-N 2.95Å; P69-K73 VanDerWaalsContact O-N 3.16Å
70	D	98.9	Very high	98.8	Very high	4 Å²	4	35.5 Å²	35.5	2%	0.021	19%	0.185	C	C	.	.	H	α-helix	trans	-74.7	-37.5	176	-56.2	-72	0	0	0	111.2	I34 K44 D67 K68 K73 A74 V233	I34-D70 HydrophobicContact CD1-CB 4Å; K44-D70 VanDerWaalsContact CG-OD1 3.28Å; K44-D70 WeakPolarHBondContact CG-OD1 3.19Å; K44-D70 PolarHBondContact N-OD1 3.31Å; D67-D70 PolarHBondContact N-OD2 3.39Å; D67-D70 WeakPolarHBondContact O-CB 3Å; D67-D70 PolarHBondContact O-N 3.36Å; K68-D70 VanDerWaalsContact C-N 3.26Å; K68-D70 PolarHBondContact O-N 3.03Å; D70-K73 PolarHBondContact O-N 2.6Å; D70-A74 WeakPolarHBondContact O-CB 3.49Å; D70-A74 PolarHBondContact O-N 3.37Å; D70-V233 HydrophobicContact CB-CG1 4.05Å
71	V	98.9	Very high	98.9	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-62.1	-46.1	171.4	174.2	0	0	0	0	110.8	D67 K68 K73 A74 V75 V233 V240 A243 I244	D67-V71 PolarHBondContact O-N 2.97Å; D67-V71 VanDerWaalsContact O-N 3.09Å; K68-V71 WeakPolarHBondContact O-CB 3.3Å; K68-V71 PolarHBondContact O-N 3.02Å; K68-V71 VanDerWaalsContact O-N 3.15Å; V71-K73 VanDerWaalsContact C-N 3.3Å; V71-K73 PolarHBondContact O-N 3.26Å; V71-A74 PolarHBondContact O-N 3.32Å; V71-A74 VanDerWaalsContact O-N 3.12Å; V71-V75 HydrophobicContact CG1-CG2 4.2Å; V71-V75 WeakPolarHBondContact O-CG2 3.14Å; V71-V75 PolarHBondContact O-N 3.22Å; V71-V233 HydrophobicContact CG2-CG1 4.25Å; V71-V240 HydrophobicContact CG2-CB 4.27Å; V71-V240 HydrophobicContact CG2-CG1 3.55Å; V71-A243 HydrophobicContact CB-CB 4.1Å; V71-A243 HydrophobicContact CG1-CB 4.15Å; V71-A243 HydrophobicContact CG2-CB 4.02Å; V71-I244 HydrophobicContact CG1-CG1 3.63Å; V71-I244 HydrophobicContact CG2-CG1 4.06Å
72	D	98.9	Very high	98.9	Very high	39 Å²	39	34.7 Å²	34.7	21%	0.209	18%	0.179	C	C	.	.	H	α-helix	trans	-58	-45.8	179	-64.4	-15.9	0	0	0	109.8	K68 A74 V75 E76 H247	K68-D72 VanDerWaalsContact NZ-CG 3.26Å; K68-D72 IonicContact NZ-OD1 2.76Å; K68-D72 PolarHBondContact NZ-OD1 3.47Å; K68-D72 IonicContact NZ-OD2 2.89Å; K68-D72 PolarHBondContact NZ-OD2 2.92Å; K68-D72 PolarHBondContact O-N 2.96Å; D72-A74 PolarHBondContact O-N 3.41Å; D72-V75 PolarHBondContact O-N 3.07Å; D72-E76 WeakPolarHBondContact O-CG 3.38Å; D72-E76 PolarHBondContact O-N 3.36Å; D72-H247 IonicContact OD1-CD2 3.13Å; D72-H247 PolarHBondContact OD1-CD2 2.88Å; D72-H247 IonicContact OD1-NE2 3.17Å; D72-H247 PolarHBondContact OD1-NE2 2.97Å; D72-H247 VanDerWaalsContact OD1-NE2 3.17Å
73	K	98.9	Very high	98.9	Very high	63 Å²	63	36.3 Å²	36.3	27%	0.274	19%	0.187	S	C	.	.	H	α-helix	trans	-60.6	-42.3	174.2	-171.6	-174.4	-178.5	-171.7	0	112.9	I36 H41 P69 D70 V71 A77	I36-K73 HydrophobicContact CD1-CB 4.23Å; I36-K73 HydrophobicContact CD1-CD 4.05Å; I36-K73 HydrophobicContact CD1-CG 4.15Å; I36-K73 HydrophobicContact CG2-CG 4.49Å; H41-K73 PolarHBondContact CE1-NZ 2.85Å; H41-K73 VanDerWaalsContact CE1-NZ 3.3Å; H41-K73 PolarHBondContact ND1-NZ 2.57Å; P69-K73 PolarHBondContact O-N 2.95Å; P69-K73 VanDerWaalsContact O-N 3.16Å; D70-K73 PolarHBondContact O-N 2.6Å; V71-K73 VanDerWaalsContact C-N 3.3Å; V71-K73 PolarHBondContact O-N 3.26Å; K73-A77 PolarHBondContact O-N 2.88Å; K73-A77 VanDerWaalsContact O-N 3.12Å
74	A	98.9	Very high	98.8	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-66.6	-37.5	178.2	0	0	0	0	0	112.1	I36 D70 V71 D72 A77 A78 V202 N231 V233	I36-A74 HydrophobicContact CD1-CB 3.84Å; I36-A74 HydrophobicContact CG1-CB 3.86Å; D70-A74 WeakPolarHBondContact O-CB 3.49Å; D70-A74 PolarHBondContact O-N 3.37Å; V71-A74 PolarHBondContact O-N 3.32Å; V71-A74 VanDerWaalsContact O-N 3.12Å; D72-A74 PolarHBondContact O-N 3.41Å; A74-A77 PolarHBondContact O-N 3.13Å; A74-A78 WeakPolarHBondContact O-CB 3.46Å; A74-A78 PolarHBondContact O-N 2.94Å; A74-V202 HydrophobicContact CB-CG1 3.82Å; A74-V202 HydrophobicContact CB-CG2 4.09Å; A74-N231 HydrophobicContact CB-CB 3.91Å; A74-V233 HydrophobicContact CB-CG2 3.72Å
75	V	98.9	Very high	98.8	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-69.7	-42.5	176.9	175.3	0	0	0	0	110.9	V71 D72 A77 A78 Q79 V173 V202 H247 Q249 V250	V71-V75 HydrophobicContact CG1-CG2 4.2Å; V71-V75 WeakPolarHBondContact O-CG2 3.14Å; V71-V75 PolarHBondContact O-N 3.22Å; D72-V75 PolarHBondContact O-N 3.07Å; V75-A77 VanDerWaalsContact C-N 3.29Å; V75-A77 PolarHBondContact O-N 2.92Å; V75-A78 PolarHBondContact O-N 3.39Å; V75-A78 VanDerWaalsContact O-N 3.16Å; V75-Q79 HydrophobicContact CG1-CG 4.23Å; V75-Q79 WeakPolarHBondContact O-CG 3.26Å; V75-Q79 PolarHBondContact O-N 3.44Å; V75-V173 HydrophobicContact CG1-CG1 4.35Å; V75-V202 HydrophobicContact CG2-CG2 3.92Å; V75-H247 WeakPolarHBondContact CG1-CE1 3.39Å; V75-Q249 HydrophobicContact CG1-CB 3.81Å; V75-V250 HydrophobicContact CG1-CG2 4.43Å; V75-V250 HydrophobicContact CG2-CG2 3.75Å
76	E	98.9	Very high	98.8	Very high	118 Å²	118	47.8 Å²	47.8	55%	0.551	24%	0.239	S	C	*	.	H	α-helix	trans	-56.6	-44.4	174	-74.6	172.8	-176	0	0	111.8	D72 Q79 A80	D72-E76 WeakPolarHBondContact O-CG 3.38Å; D72-E76 PolarHBondContact O-N 3.36Å; E76-Q79 PolarHBondContact O-N 3.02Å; E76-A80 WeakPolarHBondContact O-CB 3.08Å; E76-A80 PolarHBondContact O-N 3.07Å
77	A	98.9	Very high	98.8	Very high	5 Å²	5	52.4 Å²	52.4	4%	0.041	27%	0.269	C	S	.	.	H	α-helix	trans	-60	-46.9	174.3	0	0	0	0	0	112.4	I36 N37 K73 A74 V75 Q79 A80 A81	I36-A77 HydrophobicContact CG2-CB 3.63Å; N37-A77 WeakPolarHBondContact OD1-CB 3.33Å; K73-A77 PolarHBondContact O-N 2.88Å; K73-A77 VanDerWaalsContact O-N 3.12Å; A74-A77 PolarHBondContact O-N 3.13Å; V75-A77 VanDerWaalsContact C-N 3.29Å; V75-A77 PolarHBondContact O-N 2.92Å; A77-Q79 PolarHBondContact O-N 3.33Å; A77-A80 PolarHBondContact O-N 3.44Å; A77-A81 WeakPolarHBondContact O-CB 3.18Å; A77-A81 PolarHBondContact O-N 3.32Å
78	A	98.9	Very high	98.8	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-62.2	-42.1	177.1	0	0	0	0	0	112.3	A74 V75 A81 F82 V173 T200 V202 G228	A74-A78 WeakPolarHBondContact O-CB 3.46Å; A74-A78 PolarHBondContact O-N 2.94Å; V75-A78 PolarHBondContact O-N 3.39Å; V75-A78 VanDerWaalsContact O-N 3.16Å; A78-A81 PolarHBondContact O-N 3.04Å; A78-F82 WeakPolarHBondContact O-CB 3.42Å; A78-F82 PolarHBondContact O-N 3.29Å; A78-V173 HydrophobicContact CB-CB 4.49Å; A78-V173 HydrophobicContact CB-CG1 3.8Å; A78-V173 HydrophobicContact CB-CG2 3.93Å; A78-T200 PolarHBondContact O-OG1 3.43Å; A78-V202 HydrophobicContact CB-CG2 4.08Å; A78-G228 WeakPolarHBondContact CA-O 3.26Å
79	Q	98.8	Very high	98.8	Very high	57 Å²	57	49.6 Å²	49.6	27%	0.266	25%	0.251	S	S	.	.	H	α-helix	trans	-62.5	-46.6	176.4	-72.1	-177.9	-76.8	0	0	111.7	V75 E76 A77 A81 F82 Q83 V173 Q249	V75-Q79 HydrophobicContact CG1-CG 4.23Å; V75-Q79 WeakPolarHBondContact O-CG 3.26Å; V75-Q79 PolarHBondContact O-N 3.44Å; E76-Q79 PolarHBondContact O-N 3.02Å; A77-Q79 PolarHBondContact O-N 3.33Å; Q79-A81 VanDerWaalsContact C-N 3.31Å; Q79-A81 PolarHBondContact O-N 2.89Å; Q79-F82 CarbonylContact O-C 3.54Å; Q79-F82 PolarHBondContact O-N 3.25Å; Q79-Q83 WeakPolarHBondContact O-CG 3.25Å; Q79-Q83 PolarHBondContact O-N 2.84Å; Q79-V173 HydrophobicContact CB-CG2 4.48Å; Q79-V173 HydrophobicContact CG-CG2 3.66Å; Q79-Q249 VanDerWaalsContact CD-OE1 3.25Å
80	A	98.9	Very high	98.7	Very high	48 Å²	48	55.4 Å²	55.4	40%	0.397	27%	0.265	S	S	.	.	H	α-helix	trans	-58.2	-44.7	176.5	0	0	0	0	0	111.3	E76 A77 F82 Q83	E76-A80 WeakPolarHBondContact O-CB 3.08Å; E76-A80 PolarHBondContact O-N 3.07Å; A77-A80 PolarHBondContact O-N 3.44Å; A80-F82 PolarHBondContact O-N 3.15Å; A80-Q83 WeakPolarHBondContact O-CB 3.27Å; A80-Q83 PolarHBondContact O-N 2.76Å
81	A	98.9	Very high	98.6	Very high	11 Å²	11	57.7 Å²	57.7	9%	0.091	28%	0.276	C	S	.	.	H	α-helix	trans	-63.8	-28.1	175.2	0	0	0	0	0	113	A77 A78 Q79 S86 T200 P227 G228 V229	A77-A81 WeakPolarHBondContact O-CB 3.18Å; A77-A81 PolarHBondContact O-N 3.32Å; A78-A81 PolarHBondContact O-N 3.04Å; Q79-A81 VanDerWaalsContact C-N 3.31Å; Q79-A81 PolarHBondContact O-N 2.89Å; A81-S86 VanDerWaalsContact O-CB 3.31Å; A81-S86 WeakPolarHBondContact O-CB 3.45Å; A81-S86 PolarHBondContact O-OG 2.82Å; A81-T200 HydrophobicContact CB-CG2 3.94Å; A81-P227 WeakPolarHBondContact CB-O 3.3Å; A81-G228 VanDerWaalsContact CB-C 3.5Å; A81-V229 HydrophobicContact CB-CG2 4.14Å
82	F	98.9	Very high	98.6	Very high	34 Å²	34	62.6 Å²	62.6	15%	0.149	30%	0.302	C	S	.	.	H	α-helix	trans	-89.4	-8.1	179.1	-167.4	-106.8	0	0	0	114.9	A78 Q79 A80 R89 P170 G172 T200	A78-F82 WeakPolarHBondContact O-CB 3.42Å; A78-F82 PolarHBondContact O-N 3.29Å; Q79-F82 CarbonylContact O-C 3.54Å; Q79-F82 PolarHBondContact O-N 3.25Å; A80-F82 PolarHBondContact O-N 3.15Å; F82-R89 WeakPolarHBondContact O-CD 3.44Å; F82-R89 WeakPolarHBondContact O-CG 3.38Å; F82-R89 PolarHBondContact O-NH1 2.9Å; F82-P170 HydrophobicContact CE2-CB 3.74Å; F82-P170 HydrophobicContact CE2-CG 3.61Å; F82-P170 HydrophobicContact CZ-CB 4.04Å; F82-P170 HydrophobicContact CZ-CG 3.81Å; F82-G172 VanDerWaalsContact CE1-CA 3.5Å; F82-G172 VanDerWaalsContact CZ-CA 3.48Å; F82-T200 HydrophobicContact CB-CG2 3.86Å; F82-T200 HydrophobicContact CD2-CG2 4.24Å
83	Q	98.6	Very high	98.6	Very high	128 Å²	128	62.3 Å²	62.3	60%	0.598	31%	0.306	S	S	*	.	S	Bend	trans	-56.3	144.8	-178.2	-77	179	-0.2	0	0	112.3	Q79 A80 G85 S86 R89	Q79-Q83 WeakPolarHBondContact O-CG 3.25Å; Q79-Q83 PolarHBondContact O-N 2.84Å; A80-Q83 WeakPolarHBondContact O-CB 3.27Å; A80-Q83 PolarHBondContact O-N 2.76Å; Q83-G85 PolarHBondContact O-N 2.96Å; Q83-S86 WeakPolarHBondContact O-CB 3.4Å; Q83-S86 PolarHBondContact O-N 2.54Å; Q83-S86 PolarHBondContact O-OG 2.77Å; Q83-R89 VanDerWaalsContact O-CG 3.29Å; Q83-R89 WeakPolarHBondContact O-CG 3Å
84	R	98.1	Very high	98.5	Very high	238 Å²	238	64.2 Å²	64.2	90%	0.898	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	125	176.9	-176.6	177.8	179.8	171.1	-0.8	109.5
85	G	97.8	Very high	98.5	Very high	26 Å²	26	65.1 Å²	65.1	27%	0.268	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.8	-2.5	-178.2	0	0	0	0	0	114.8	Q83 R90	Q83-G85 PolarHBondContact O-N 2.96Å; G85-R90 VanDerWaalsContact O-CD 3.3Å; G85-R90 WeakPolarHBondContact O-CD 3.39Å; G85-R90 VanDerWaalsContact O-CZ 3.32Å; G85-R90 PolarHBondContact O-NE 2.76Å; G85-R90 VanDerWaalsContact O-NE 3.17Å
86	S	98.8	Very high	98.5	Very high	14 Å²	14	66.9 Å²	66.9	10%	0.098	33%	0.331	C	S	.	.	S	Bend	trans	-61.1	160.2	170.6	78.2	0	0	0	0	111.5	A81 Q83 W88 R89 R90	A81-S86 VanDerWaalsContact O-CB 3.31Å; A81-S86 WeakPolarHBondContact O-CB 3.45Å; A81-S86 PolarHBondContact O-OG 2.82Å; Q83-S86 WeakPolarHBondContact O-CB 3.4Å; Q83-S86 PolarHBondContact O-N 2.54Å; Q83-S86 PolarHBondContact O-OG 2.77Å; S86-W88 PolarHBondContact O-N 2.8Å; S86-W88 PolarHBondContact OG-N 2.82Å; S86-R89 PolarHBondContact O-N 2.85Å; S86-R89 WeakPolarHBondContact OG-CG 3.36Å; S86-R89 PolarHBondContact OG-N 3Å; S86-R89 VanDerWaalsContact OG-N 3.14Å; S86-R90 WeakPolarHBondContact O-CB 3.38Å; S86-R90 WeakPolarHBondContact O-CG 3.35Å; S86-R90 PolarHBondContact O-N 2.78Å
87	P	98.6	Very high	98.5	Very high	97 Å²	97	61.4 Å²	61.4	63%	0.63	31%	0.307	S	S	*	.	H	α-helix	trans	-52.8	-41.3	174.1	-27.5	35.8	0	0	0	112.7	L91 P226	P87-L91 WeakPolarHBondContact O-CB 3.41Å; P87-L91 PolarHBondContact O-N 2.92Å; P87-L91 VanDerWaalsContact O-N 3.08Å; P87-P226 HydrophobicContact CB-CB 4.41Å; P87-P226 HydrophobicContact CB-CG 4.35Å
88	W	98.8	Very high	98.5	Very high	4 Å²	4	68.9 Å²	68.9	2%	0.015	33%	0.334	C	S	.	.	H	α-helix	trans	-67.9	-41.6	179.9	-174.6	-125.5	0	0	0	113.1	S86 L91 R96 L99 L195 G198 N199 F225 P226 V229	S86-W88 PolarHBondContact O-N 2.8Å; S86-W88 PolarHBondContact OG-N 2.82Å; W88-L91 HydrophobicContact CE3-CD2 4.01Å; W88-L91 HydrophobicContact CZ3-CD2 3.94Å; W88-L91 PolarHBondContact O-N 2.95Å; W88-R96 HydrophobicContact CE3-CG 4.35Å; W88-R96 HydrophobicContact CH2-CB 3.99Å; W88-R96 HydrophobicContact CH2-CG 3.62Å; W88-R96 HydrophobicContact CZ2-CG 4.21Å; W88-R96 HydrophobicContact CZ3-CB 4.31Å; W88-R96 HydrophobicContact CZ3-CG 3.71Å; W88-L99 HydrophobicContact CZ3-CD1 3.91Å; W88-L195 HydrophobicContact CZ2-CB 4.41Å; W88-L195 HydrophobicContact CZ2-CD2 4.12Å; W88-L195 WeakPolarHBondContact CZ2-O 3.24Å; W88-G198 PolarHBondContact NE1-O 3.25Å; W88-G198 VanDerWaalsContact NE1-O 3.09Å; W88-N199 PolarHBondContact NE1-O 2.78Å; W88-F225 HydrophobicContact CH2-CD1 4.24Å; W88-F225 HydrophobicContact CH2-CE1 4.08Å; W88-F225 HydrophobicContact CZ3-CD1 4.15Å; W88-F225 HydrophobicContact CZ3-CE1 4.32Å; W88-P226 HydrophobicContact CB-CG 4.35Å; W88-P226 HydrophobicContact CE3-CG 4.17Å; W88-V229 HydrophobicContact CB-CG2 3.74Å; W88-V229 HydrophobicContact CD2-CG1 3.95Å; W88-V229 HydrophobicContact CD2-CG2 3.73Å; W88-V229 HydrophobicContact CE3-CG1 4.33Å; W88-V229 HydrophobicContact CE3-CG2 4.13Å; W88-V229 HydrophobicContact CG-CG1 4.41Å; W88-V229 HydrophobicContact CG-CG2 3.54Å; W88-V229 HydrophobicContact CH2-CG1 4.3Å; W88-V229 HydrophobicContact CZ2-CG1 3.91Å; W88-V229 HydrophobicContact CZ3-CG1 4.48Å
89	R	98.5	Very high	98.5	Very high	87 Å²	87	69.5 Å²	69.5	33%	0.328	34%	0.337	S	S	.	.	H	α-helix	trans	-75	-23.3	179.9	-68.4	-59.8	-59.6	-82.3	5.9	114	F82 Q83 S86	F82-R89 WeakPolarHBondContact O-CD 3.44Å; F82-R89 WeakPolarHBondContact O-CG 3.38Å; F82-R89 PolarHBondContact O-NH1 2.9Å; Q83-R89 VanDerWaalsContact O-CG 3.29Å; Q83-R89 WeakPolarHBondContact O-CG 3Å; S86-R89 PolarHBondContact O-N 2.85Å; S86-R89 WeakPolarHBondContact OG-CG 3.36Å; S86-R89 PolarHBondContact OG-N 3Å; S86-R89 VanDerWaalsContact OG-N 3.14Å
90	R	98.3	Very high	98.5	Very high	191 Å²	191	66.9 Å²	66.9	72%	0.721	33%	0.325	S	S	*	.	H	α-helix	trans	-89	-15.8	175.3	-72.4	-177.7	172.3	166.5	4.7	113.2	G85 S86 D92	G85-R90 VanDerWaalsContact O-CD 3.3Å; G85-R90 WeakPolarHBondContact O-CD 3.39Å; G85-R90 VanDerWaalsContact O-CZ 3.32Å; G85-R90 PolarHBondContact O-NE 2.76Å; G85-R90 VanDerWaalsContact O-NE 3.17Å; S86-R90 WeakPolarHBondContact O-CB 3.38Å; S86-R90 WeakPolarHBondContact O-CG 3.35Å; S86-R90 PolarHBondContact O-N 2.78Å; R90-D92 PolarHBondContact O-N 2.72Å
91	L	96.9	Very high	98.5	Very high	51 Å²	51	68.2 Å²	68.2	27%	0.267	32%	0.323	S	S	.	.	S	Bend	trans	-64.9	132.3	-177.5	-163.4	62.5	0	0	0	110.6	P87 W88 R96 L99	P87-L91 WeakPolarHBondContact O-CB 3.41Å; P87-L91 PolarHBondContact O-N 2.92Å; P87-L91 VanDerWaalsContact O-N 3.08Å; W88-L91 HydrophobicContact CE3-CD2 4.01Å; W88-L91 HydrophobicContact CZ3-CD2 3.94Å; W88-L91 PolarHBondContact O-N 2.95Å; L91-R96 HydrophobicContact CD2-CG 4.09Å; L91-R96 HydrophobicContact CG-CG 4.46Å; L91-R96 PolarHBondContact O-NH1 3.49Å; L91-L99 HydrophobicContact CD2-CD1 3.68Å
92	D	98.1	Very high	98.5	Very high	103 Å²	103	71.2 Å²	71.2	55%	0.551	34%	0.335	S	S	*	.			trans	-55	146.6	174.8	-63.2	-28.8	0	0	0	110.9	R90 L94 S95 R96	R90-D92 PolarHBondContact O-N 2.72Å; D92-L94 VanDerWaalsContact C-N 3.29Å; D92-L94 HydrophobicContact CB-CG 4.2Å; D92-L94 PolarHBondContact O-N 3.26Å; D92-S95 WeakPolarHBondContact O-CA 3.46Å; D92-S95 WeakPolarHBondContact O-CB 3.29Å; D92-S95 PolarHBondContact O-N 3.47Å; D92-R96 PolarHBondContact O-N 3.06Å; D92-R96 VanDerWaalsContact O-N 3.11Å
93	A	98.4	Very high	98.5	Very high	34 Å²	34	69.6 Å²	69.6	28%	0.281	33%	0.328	S	S	.	.	H	α-helix	trans	-57	-43.1	-179.9	0	0	0	0	0	112.4	S95 R96 G97 A148 D149	A93-S95 VanDerWaalsContact C-N 3.27Å; A93-S95 PolarHBondContact O-N 3Å; A93-R96 WeakPolarHBondContact O-CB 3.36Å; A93-R96 PolarHBondContact O-N 3Å; A93-G97 PolarHBondContact O-N 2.93Å; A93-A148 WeakPolarHBondContact CB-O 3.22Å; A93-A148 VanDerWaalsContact O-CB 3.27Å; A93-A148 WeakPolarHBondContact O-CB 3.44Å; A93-D149 HydrophobicContact CB-CB 4.06Å
94	L	97.4	Very high	98.5	Very high	102 Å²	102	63.5 Å²	63.5	53%	0.534	30%	0.299	S	S	.	.	H	α-helix	trans	-62.4	-34.3	174.5	73.7	90.6	0	0	0	112.6	D92 R96 G97 R98 D149	D92-L94 VanDerWaalsContact C-N 3.29Å; D92-L94 HydrophobicContact CB-CG 4.2Å; D92-L94 PolarHBondContact O-N 3.26Å; L94-R96 VanDerWaalsContact C-N 3.35Å; L94-G97 CarbonylContact O-C 3.58Å; L94-G97 WeakPolarHBondContact O-CA 3.15Å; L94-G97 PolarHBondContact O-N 3.42Å; L94-G97 VanDerWaalsContact O-N 3.14Å; L94-R98 PolarHBondContact O-N 3.29Å; L94-D149 HydrophobicContact CB-CB 4.32Å
95	S	98.6	Very high	98.5	Very high	20 Å²	20	56.1 Å²	56.1	14%	0.14	28%	0.278	C	S	.	.	H	α-helix	trans	-72.2	-31	-178.9	-73.4	0	0	0	0	111.4	D92 A93 R98 L99	D92-S95 WeakPolarHBondContact O-CA 3.46Å; D92-S95 WeakPolarHBondContact O-CB 3.29Å; D92-S95 PolarHBondContact O-N 3.47Å; A93-S95 VanDerWaalsContact C-N 3.27Å; A93-S95 PolarHBondContact O-N 3Å; S95-R98 PolarHBondContact O-N 3.44Å; S95-L99 WeakPolarHBondContact O-CG 3.31Å; S95-L99 PolarHBondContact O-N 3.12Å
96	R	98.6	Very high	98.6	Very high	36 Å²	36	55.7 Å²	55.7	14%	0.136	27%	0.269	C	S	.	.	H	α-helix	trans	-62.7	-43.8	166.2	-62	-164.9	-60.9	-83.9	-1.6	111.4	W88 L91 D92 A93 L94 R98 L99 L100 A148 C196	W88-R96 HydrophobicContact CE3-CG 4.35Å; W88-R96 HydrophobicContact CH2-CB 3.99Å; W88-R96 HydrophobicContact CH2-CG 3.62Å; W88-R96 HydrophobicContact CZ2-CG 4.21Å; W88-R96 HydrophobicContact CZ3-CB 4.31Å; W88-R96 HydrophobicContact CZ3-CG 3.71Å; L91-R96 HydrophobicContact CD2-CG 4.09Å; L91-R96 HydrophobicContact CG-CG 4.46Å; L91-R96 PolarHBondContact O-NH1 3.49Å; D92-R96 PolarHBondContact O-N 3.06Å; D92-R96 VanDerWaalsContact O-N 3.11Å; A93-R96 WeakPolarHBondContact O-CB 3.36Å; A93-R96 PolarHBondContact O-N 3Å; L94-R96 VanDerWaalsContact C-N 3.35Å; R96-R98 VanDerWaalsContact C-N 3.32Å; R96-R98 PolarHBondContact O-N 2.75Å; R96-L99 PolarHBondContact O-N 2.74Å; R96-L100 PolarHBondContact O-N 3.45Å; R96-A148 HydrophobicContact CB-CB 4.39Å; R96-A148 PolarHBondContact NH2-O 2.83Å; R96-C196 PolarHBondContact NE-O 3.43Å; R96-C196 PolarHBondContact NH2-O 3.49Å
97	G	98.8	Very high	98.6	Very high	3 Å²	3	55 Å²	55	3%	0.031	27%	0.265	C	S	.	.	H	α-helix	trans	-57.8	-43.1	173.9	0	0	0	0	0	112.4	A93 L94 L99 L100 H101 A145	A93-G97 PolarHBondContact O-N 2.93Å; L94-G97 CarbonylContact O-C 3.58Å; L94-G97 WeakPolarHBondContact O-CA 3.15Å; L94-G97 PolarHBondContact O-N 3.42Å; L94-G97 VanDerWaalsContact O-N 3.14Å; G97-L99 VanDerWaalsContact C-N 3.35Å; G97-L99 PolarHBondContact O-N 3.04Å; G97-L100 PolarHBondContact O-N 3.42Å; G97-H101 PolarHBondContact O-N 3.13Å; G97-A145 VanDerWaalsContact CA-O 3.3Å; G97-A145 WeakPolarHBondContact CA-O 3.37Å; G97-A145 WeakPolarHBondContact O-CB 3.48Å
98	R	98.9	Very high	98.6	Very high	163 Å²	163	53.7 Å²	53.7	62%	0.615	25%	0.25	S	S	*	.	H	α-helix	trans	-59.2	-42.1	176	-170.5	-179.2	69.4	148.1	2.3	112.8	L94 S95 R96 L100 H101 Q102	L94-R98 PolarHBondContact O-N 3.29Å; S95-R98 PolarHBondContact O-N 3.44Å; R96-R98 VanDerWaalsContact C-N 3.32Å; R96-R98 PolarHBondContact O-N 2.75Å; R98-L100 VanDerWaalsContact C-N 3.34Å; R98-H101 PolarHBondContact O-N 3.42Å; R98-Q102 WeakPolarHBondContact O-CB 2.97Å; R98-Q102 PolarHBondContact O-N 2.69Å
99	L	98.9	Very high	98.6	Very high	13 Å²	13	59.8 Å²	59.8	7%	0.068	27%	0.273	C	S	.	.	H	α-helix	trans	-64.3	-38.4	177	-68.8	171.4	0	0	0	112	W88 L91 S95 R96 G97 Q102 L103 A223 F225	W88-L99 HydrophobicContact CZ3-CD1 3.91Å; L91-L99 HydrophobicContact CD2-CD1 3.68Å; S95-L99 WeakPolarHBondContact O-CG 3.31Å; S95-L99 PolarHBondContact O-N 3.12Å; R96-L99 PolarHBondContact O-N 2.74Å; G97-L99 VanDerWaalsContact C-N 3.35Å; G97-L99 PolarHBondContact O-N 3.04Å; L99-Q102 PolarHBondContact O-N 2.87Å; L99-L103 WeakPolarHBondContact O-CB 3.47Å; L99-L103 PolarHBondContact O-N 2.96Å; L99-A223 WeakPolarHBondContact CD2-O 3.45Å; L99-F225 HydrophobicContact CB-CD1 4.34Å; L99-F225 HydrophobicContact CB-CD2 4.39Å; L99-F225 HydrophobicContact CB-CE1 3.8Å; L99-F225 HydrophobicContact CB-CE2 3.87Å; L99-F225 HydrophobicContact CB-CZ 3.55Å; L99-F225 HydrophobicContact CD1-CD1 4.13Å; L99-F225 HydrophobicContact CD1-CE1 4.27Å; L99-F225 HydrophobicContact CD1-CG 4.5Å
100	L	98.9	Very high	98.6	Very high	1 Å²	1	56.9 Å²	56.9	1%	0.005	26%	0.264	C	S	.	.	H	α-helix	trans	-67.3	-39.4	174.3	-74.4	171	0	0	0	112.4	R96 G97 R98 L103 A104 L141 A145 L191 L195 C196 F225	R96-L100 PolarHBondContact O-N 3.45Å; G97-L100 PolarHBondContact O-N 3.42Å; R98-L100 VanDerWaalsContact C-N 3.34Å; L100-L103 PolarHBondContact O-N 2.86Å; L100-A104 PolarHBondContact O-N 3.43Å; L100-L141 HydrophobicContact CD2-CD2 4.14Å; L100-A145 HydrophobicContact CB-CB 3.61Å; L100-L191 HydrophobicContact CD2-CD2 4.35Å; L100-L195 HydrophobicContact CD2-CB 4.16Å; L100-L195 HydrophobicContact CD2-CD1 4.28Å; L100-C196 HydrophobicContact CD1-CB 3.9Å; L100-F225 HydrophobicContact CD2-CZ 4.17Å; L100-F225 HydrophobicContact CG-CZ 4.4Å
101	H	98.9	Very high	98.6	Very high	77 Å²	77	48.8 Å²	48.8	36%	0.356	23%	0.233	S	C	.	.	H	α-helix	trans	-61.4	-46.7	171.9	-80.3	-51.6	0	0	0	111.7	G97 R98 L103 A104 D105 A145	G97-H101 PolarHBondContact O-N 3.13Å; R98-H101 PolarHBondContact O-N 3.42Å; H101-L103 VanDerWaalsContact C-N 3.32Å; H101-L103 PolarHBondContact O-N 3.18Å; H101-A104 WeakPolarHBondContact O-CB 3.5Å; H101-A104 PolarHBondContact O-N 3.38Å; H101-A104 VanDerWaalsContact O-N 3.09Å; H101-D105 PolarHBondContact O-N 3.14Å; H101-A145 HydrophobicContact CB-CB 4.45Å; H101-A145 VanDerWaalsContact CE1-CB 3.41Å; H101-A145 WeakPolarHBondContact CE1-CB 3.24Å; H101-A145 WeakPolarHBondContact NE2-CB 3.49Å
102	Q	98.9	Very high	98.7	Very high	73 Å²	73	47.9 Å²	47.9	34%	0.341	23%	0.233	S	C	.	.	H	α-helix	trans	-61.1	-40.7	177.2	-176.3	174	-12.6	0	0	111.9	R98 L99 A104 D105 L106 A223	R98-Q102 WeakPolarHBondContact O-CB 2.97Å; R98-Q102 PolarHBondContact O-N 2.69Å; L99-Q102 PolarHBondContact O-N 2.87Å; Q102-A104 VanDerWaalsContact C-N 3.33Å; Q102-A104 PolarHBondContact O-N 3.19Å; Q102-D105 PolarHBondContact O-N 3.32Å; Q102-L106 WeakPolarHBondContact O-CG 3.36Å; Q102-L106 PolarHBondContact O-N 3.02Å; Q102-A223 HydrophobicContact CG-CB 4.2Å; Q102-A223 PolarHBondContact NE2-O 2.75Å; Q102-A223 PolarHBondContact OE1-O 3.47Å
103	L	98.9	Very high	98.7	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-61.4	-42	173.5	-177.4	59.6	0	0	0	111.8	L99 L100 H101 D105 L106 V107 L141 L191 L216 L219 I220 A223 F225	L99-L103 WeakPolarHBondContact O-CB 3.47Å; L99-L103 PolarHBondContact O-N 2.96Å; L100-L103 PolarHBondContact O-N 2.86Å; H101-L103 VanDerWaalsContact C-N 3.32Å; H101-L103 PolarHBondContact O-N 3.18Å; L103-D105 VanDerWaalsContact C-N 3.29Å; L103-D105 PolarHBondContact O-N 2.94Å; L103-L106 PolarHBondContact O-N 2.76Å; L103-V107 HydrophobicContact CD1-CG2 4.49Å; L103-V107 VanDerWaalsContact O-CG2 3.31Å; L103-V107 WeakPolarHBondContact O-CG2 3.33Å; L103-V107 PolarHBondContact O-N 3.25Å; L103-L141 HydrophobicContact CD2-CD1 4.49Å; L103-L141 HydrophobicContact CD2-CD2 4Å; L103-L141 HydrophobicContact CG-CD1 4.21Å; L103-L191 HydrophobicContact CD2-CD2 4.1Å; L103-L216 HydrophobicContact CD1-CD1 3.87Å; L103-L216 HydrophobicContact CD2-CD1 4.44Å; L103-L216 HydrophobicContact CG-CD1 4.37Å; L103-L219 HydrophobicContact CD1-CB 3.8Å; L103-I220 HydrophobicContact CD1-CG1 3.92Å; L103-I220 HydrophobicContact CD2-CG1 3.93Å; L103-A223 HydrophobicContact CB-CB 4.28Å; L103-F225 HydrophobicContact CB-CE2 4.15Å; L103-F225 HydrophobicContact CD2-CE2 4.17Å
104	A	98.9	Very high	98.7	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-61.1	-39.5	175.7	0	0	0	0	0	111.9	L100 H101 Q102 V107 E108 I138 L141 R142	L100-A104 PolarHBondContact O-N 3.43Å; H101-A104 WeakPolarHBondContact O-CB 3.5Å; H101-A104 PolarHBondContact O-N 3.38Å; H101-A104 VanDerWaalsContact O-N 3.09Å; Q102-A104 VanDerWaalsContact C-N 3.33Å; Q102-A104 PolarHBondContact O-N 3.19Å; A104-V107 PolarHBondContact O-N 2.86Å; A104-E108 WeakPolarHBondContact O-CB 3.32Å; A104-E108 PolarHBondContact O-N 3.42Å; A104-I138 HydrophobicContact CB-CG2 4.44Å; A104-L141 HydrophobicContact CB-CB 3.74Å; A104-L141 HydrophobicContact CB-CD1 4.18Å; A104-R142 HydrophobicContact CB-CG 3.69Å
105	D	98.9	Very high	98.8	Very high	83 Å²	83	38.3 Å²	38.3	44%	0.444	18%	0.179	S	C	.	.	H	α-helix	trans	-67	-36.7	177.6	-64.6	-21	0	0	0	112	H101 Q102 L103 E108 R109 R142	H101-D105 PolarHBondContact O-N 3.14Å; Q102-D105 PolarHBondContact O-N 3.32Å; L103-D105 VanDerWaalsContact C-N 3.29Å; L103-D105 PolarHBondContact O-N 2.94Å; D105-E108 PolarHBondContact O-N 3.17Å; D105-R109 WeakPolarHBondContact O-CB 3.31Å; D105-R109 PolarHBondContact O-N 3.13Å; D105-R142 IonicContact OD1-CZ 2.69Å; D105-R142 IonicContact OD1-NE 2.66Å; D105-R142 IonicContact OD1-NH2 3.19Å; D105-R142 PolarHBondContact OD1-NH2 2.81Å
106	L	98.9	Very high	98.8	Very high	18 Å²	18	37.4 Å²	37.4	9%	0.094	17%	0.173	C	C	.	.	H	α-helix	trans	-69.5	-37.9	173.6	-66.5	176.7	0	0	0	112.5	Q102 L103 R109 D110 L219 E222 A223	Q102-L106 WeakPolarHBondContact O-CG 3.36Å; Q102-L106 PolarHBondContact O-N 3.02Å; L103-L106 PolarHBondContact O-N 2.76Å; L106-R109 VanDerWaalsContact CD2-NH1 3.35Å; L106-R109 WeakPolarHBondContact O-CB 3.32Å; L106-R109 PolarHBondContact O-N 3.39Å; L106-D110 PolarHBondContact O-N 2.99Å; L106-L219 HydrophobicContact CB-CB 4.3Å; L106-L219 HydrophobicContact CB-CD1 4.43Å; L106-L219 HydrophobicContact CB-CD2 4.36Å; L106-L219 HydrophobicContact CD1-CB 4.46Å; L106-L219 WeakPolarHBondContact CD1-O 3.29Å; L106-E222 HydrophobicContact CD1-CB 3.89Å; L106-E222 HydrophobicContact CD1-CG 3.87Å; L106-E222 HydrophobicContact CD2-CG 4.27Å; L106-A223 HydrophobicContact CD1-CB 3.93Å
107	V	98.9	Very high	98.8	Very high	0 Å²	0	36 Å²	36	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-65.4	-39.9	173.5	172	0	0	0	0	110.8	L103 A104 D110 R111 L114 I138 L141 L216 L219	L103-V107 HydrophobicContact CD1-CG2 4.49Å; L103-V107 VanDerWaalsContact O-CG2 3.31Å; L103-V107 WeakPolarHBondContact O-CG2 3.33Å; L103-V107 PolarHBondContact O-N 3.25Å; A104-V107 PolarHBondContact O-N 2.86Å; V107-D110 CarbonylContact O-C 3.47Å; V107-D110 PolarHBondContact O-N 3.04Å; V107-R111 WeakPolarHBondContact O-CA 3.16Å; V107-R111 PolarHBondContact O-N 2.83Å; V107-L114 HydrophobicContact CB-CD1 4.38Å; V107-L114 HydrophobicContact CG1-CD1 3.9Å; V107-L114 HydrophobicContact CG2-CD1 4.41Å; V107-I138 HydrophobicContact CB-CG1 4.28Å; V107-I138 HydrophobicContact CG1-CD1 4.26Å; V107-I138 HydrophobicContact CG1-CG1 3.66Å; V107-L141 HydrophobicContact CG2-CD1 4.08Å; V107-L216 HydrophobicContact CG2-CD1 3.75Å; V107-L219 HydrophobicContact CG2-CD1 3.96Å
108	E	98.8	Very high	98.8	Very high	69 Å²	69	35.9 Å²	35.9	32%	0.322	17%	0.167	S	C	.	.	H	α-helix	trans	-64.6	-42.1	173.7	-171.6	82.7	-113.5	0	0	111.4	A104 D105 D110 R111 I138	A104-E108 WeakPolarHBondContact O-CB 3.32Å; A104-E108 PolarHBondContact O-N 3.42Å; D105-E108 PolarHBondContact O-N 3.17Å; E108-D110 VanDerWaalsContact C-N 3.34Å; E108-D110 PolarHBondContact O-N 3.07Å; E108-R111 WeakPolarHBondContact O-CB 2.92Å; E108-R111 PolarHBondContact O-N 2.88Å; E108-R111 VanDerWaalsContact OE1-CD 3.3Å; E108-R111 WeakPolarHBondContact OE1-CD 3.43Å; E108-R111 IonicContact OE1-CZ 3.35Å; E108-R111 IonicContact OE1-NE 2.84Å; E108-R111 IonicContact OE1-NH1 2.95Å; E108-R111 PolarHBondContact OE1-NH1 2.92Å; E108-R111 IonicContact OE2-NH1 2.76Å; E108-I138 HydrophobicContact CB-CD1 4.06Å; E108-I138 HydrophobicContact CG-CD1 4.44Å; E108-I138 WeakPolarHBondContact OE2-CD1 3.42Å
109	R	98.7	Very high	98.7	Very high	131 Å²	131	28.2 Å²	28.2	49%	0.494	14%	0.138	S	C	.	.	H	α-helix	trans	-57.6	-47.1	174.9	-176.4	-164	71.1	-165.7	-4.4	111.5	D105 L106 R111 E222	D105-R109 WeakPolarHBondContact O-CB 3.31Å; D105-R109 PolarHBondContact O-N 3.13Å; L106-R109 VanDerWaalsContact CD2-NH1 3.35Å; L106-R109 WeakPolarHBondContact O-CB 3.32Å; L106-R109 PolarHBondContact O-N 3.39Å; R109-R111 VanDerWaalsContact C-N 3.3Å; R109-R111 PolarHBondContact O-N 3.32Å; R109-E222 IonicContact CZ-OE1 2.81Å; R109-E222 IonicContact CZ-OE2 3.8Å; R109-E222 IonicContact NH1-OE1 3.26Å; R109-E222 PolarHBondContact NH1-OE1 2.88Å; R109-E222 IonicContact NH1-OE2 2.82Å; R109-E222 PolarHBondContact NH1-OE2 2.91Å; R109-E222 IonicContact NH2-OE1 2.84Å; R109-E222 IonicContact NH2-OE2 3.8Å; R109-E222 PolarHBondContact NH2-OE2 2.97Å
110	D	98.6	Very high	98.7	Very high	27 Å²	27	28.5 Å²	28.5	14%	0.144	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	12.9	-176.7	-74.5	18.8	0	0	0	112.9	L106 V107 E108 A112 T113 L114 H215 L219	L106-D110 PolarHBondContact O-N 2.99Å; V107-D110 CarbonylContact O-C 3.47Å; V107-D110 PolarHBondContact O-N 3.04Å; E108-D110 VanDerWaalsContact C-N 3.34Å; E108-D110 PolarHBondContact O-N 3.07Å; D110-A112 VanDerWaalsContact C-N 3.32Å; D110-A112 PolarHBondContact O-N 2.82Å; D110-T113 WeakPolarHBondContact O-CA 3.13Å; D110-T113 WeakPolarHBondContact O-CB 3.5Å; D110-T113 PolarHBondContact O-N 2.98Å; D110-L114 HydrophobicContact CB-CD1 4.27Å; D110-L114 HydrophobicContact CB-CG 4.46Å; D110-L114 PolarHBondContact O-N 3.45Å; D110-H215 IonicContact OD2-CE1 3.51Å; D110-H215 IonicContact OD2-NE2 3.41Å; D110-H215 PolarHBondContact OD2-NE2 3.31Å; D110-L219 HydrophobicContact CB-CD1 4.44Å; D110-L219 WeakPolarHBondContact OD2-CD2 3.22Å
111	R	98.6	Very high	98.7	Very high	20 Å²	20	28.5 Å²	28.5	8%	0.075	14%	0.14	C	C	.	.	H	α-helix	trans	-52.4	-45.3	-172	-172	177.6	179.1	151.8	2.5	113	V107 E108 R109 T113 A115 F130 L134 E135 I138	V107-R111 WeakPolarHBondContact O-CA 3.16Å; V107-R111 PolarHBondContact O-N 2.83Å; E108-R111 WeakPolarHBondContact O-CB 2.92Å; E108-R111 PolarHBondContact O-N 2.88Å; E108-R111 VanDerWaalsContact OE1-CD 3.3Å; E108-R111 WeakPolarHBondContact OE1-CD 3.43Å; E108-R111 IonicContact OE1-CZ 3.35Å; E108-R111 IonicContact OE1-NE 2.84Å; E108-R111 IonicContact OE1-NH1 2.95Å; E108-R111 PolarHBondContact OE1-NH1 2.92Å; E108-R111 IonicContact OE2-NH1 2.76Å; R109-R111 VanDerWaalsContact C-N 3.3Å; R109-R111 PolarHBondContact O-N 3.32Å; R111-T113 PolarHBondContact O-N 2.77Å; R111-A115 VanDerWaalsContact O-CB 3.29Å; R111-A115 WeakPolarHBondContact O-CB 3.24Å; R111-A115 PolarHBondContact O-N 3.21Å; R111-F130 HydrophobicContact CB-CE2 4.06Å; R111-F130 HydrophobicContact CB-CZ 4.47Å; R111-F130 HydrophobicContact CG-CD2 3.88Å; R111-F130 HydrophobicContact CG-CE1 4.43Å; R111-F130 HydrophobicContact CG-CE2 3.55Å; R111-F130 HydrophobicContact CG-CG 4.45Å; R111-F130 HydrophobicContact CG-CZ 3.86Å; R111-F130 PolarHBondContact NE-O 2.9Å; R111-F130 PolarHBondContact NH2-O 2.86Å; R111-L134 HydrophobicContact CG-CB 3.97Å; R111-L134 HydrophobicContact CG-CD2 3.82Å; R111-L134 HydrophobicContact CG-CG 4.33Å; R111-L134 WeakPolarHBondContact O-CD2 3.42Å; R111-E135 IonicContact CZ-OE2 2.83Å; R111-E135 IonicContact NH1-OE2 2.9Å; R111-E135 PolarHBondContact NH1-OE2 3.02Å; R111-E135 IonicContact NH2-OE2 3.76Å; R111-E135 PolarHBondContact NH2-OE2 3.49Å; R111-I138 HydrophobicContact CG-CD1 4.48Å
112	A	98.1	Very high	98.7	Very high	32 Å²	32	25 Å²	25	26%	0.264	12%	0.123	S	C	.	.	H	α-helix	trans	-66.3	-37.9	178.9	0	0	0	0	0	112.9	I24 D110 A116 F130	I24-A112 HydrophobicContact CD1-CB 4.27Å; D110-A112 VanDerWaalsContact C-N 3.32Å; D110-A112 PolarHBondContact O-N 2.82Å; A112-A116 WeakPolarHBondContact O-CB 3.45Å; A112-A116 PolarHBondContact O-N 2.94Å; A112-F130 HydrophobicContact CB-CE2 4.16Å
113	T	98.4	Very high	98.6	Very high	38 Å²	38	21.5 Å²	21.5	23%	0.233	11%	0.107	C	C	.	.	H	α-helix	trans	-65.5	-49.3	176.9	-57.3	0	0	0	0	110.7	L27 D110 R111 A115 A116 L117	L27-T113 HydrophobicContact CD1-CG2 4.09Å; L27-T113 HydrophobicContact CD2-CG2 3.88Å; L27-T113 WeakPolarHBondContact CD2-O 3.33Å; D110-T113 WeakPolarHBondContact O-CA 3.13Å; D110-T113 WeakPolarHBondContact O-CB 3.5Å; D110-T113 PolarHBondContact O-N 2.98Å; R111-T113 PolarHBondContact O-N 2.77Å; T113-A115 VanDerWaalsContact C-N 3.34Å; T113-A115 PolarHBondContact O-N 3Å; T113-A116 PolarHBondContact O-N 3.42Å; T113-L117 PolarHBondContact O-N 2.85Å
114	L	98.8	Very high	98.6	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-63.1	-39.9	178	-73.2	166.8	0	0	0	111.5	V107 D110 A116 L117 E118 L134 L184 T212 H215 L219	V107-L114 HydrophobicContact CB-CD1 4.38Å; V107-L114 HydrophobicContact CG1-CD1 3.9Å; V107-L114 HydrophobicContact CG2-CD1 4.41Å; D110-L114 HydrophobicContact CB-CD1 4.27Å; D110-L114 HydrophobicContact CB-CG 4.46Å; D110-L114 PolarHBondContact O-N 3.45Å; L114-A116 VanDerWaalsContact C-N 3.34Å; L114-A116 PolarHBondContact O-N 2.81Å; L114-L117 PolarHBondContact O-N 3.29Å; L114-E118 WeakPolarHBondContact O-CB 3.46Å; L114-E118 PolarHBondContact O-N 2.99Å; L114-L134 HydrophobicContact CB-CD1 4.48Å; L114-L134 HydrophobicContact CB-CD2 3.97Å; L114-L134 HydrophobicContact CB-CG 4.33Å; L114-L184 HydrophobicContact CB-CD2 4.36Å; L114-L184 HydrophobicContact CD1-CD2 4.17Å; L114-L184 HydrophobicContact CD2-CD2 4.13Å; L114-L184 HydrophobicContact CG-CD2 4.47Å; L114-T212 HydrophobicContact CD2-CG2 4.3Å; L114-H215 HydrophobicContact CD2-CB 3.92Å; L114-L219 HydrophobicContact CD1-CD1 4.16Å
115	A	98.8	Very high	98.6	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-63.6	-42.1	177.5	0	0	0	0	0	111.2	R111 T113 E118 T119 F126 A129 F130 L134	R111-A115 VanDerWaalsContact O-CB 3.29Å; R111-A115 WeakPolarHBondContact O-CB 3.24Å; R111-A115 PolarHBondContact O-N 3.21Å; T113-A115 VanDerWaalsContact C-N 3.34Å; T113-A115 PolarHBondContact O-N 3Å; A115-E118 PolarHBondContact O-N 2.78Å; A115-T119 WeakPolarHBondContact O-CB 3.26Å; A115-T119 PolarHBondContact O-N 3.39Å; A115-T119 PolarHBondContact O-OG1 3.1Å; A115-F126 HydrophobicContact CB-CD2 3.91Å; A115-F126 HydrophobicContact CB-CE2 3.53Å; A115-F126 HydrophobicContact CB-CZ 4.29Å; A115-A129 HydrophobicContact CB-CB 4.18Å; A115-F130 HydrophobicContact CB-CB 4Å; A115-F130 HydrophobicContact CB-CD2 3.96Å; A115-F130 HydrophobicContact CB-CG 4.48Å; A115-L134 HydrophobicContact CB-CD2 3.51Å; A115-L134 VanDerWaalsContact N-CD2 3.3Å
116	A	98.6	Very high	98.6	Very high	1 Å²	1	17.8 Å²	17.8	1%	0.008	9%	0.087	C	C	.	.	H	α-helix	trans	-67	-41.9	178	0	0	0	0	0	112	I24 L27 A112 T113 L114 T119 M120 F126 F347	I24-A116 HydrophobicContact CB-CB 4.01Å; L27-A116 HydrophobicContact CD2-CB 3.95Å; A112-A116 WeakPolarHBondContact O-CB 3.45Å; A112-A116 PolarHBondContact O-N 2.94Å; T113-A116 PolarHBondContact O-N 3.42Å; L114-A116 VanDerWaalsContact C-N 3.34Å; L114-A116 PolarHBondContact O-N 2.81Å; A116-T119 PolarHBondContact O-N 2.82Å; A116-M120 VanDerWaalsContact O-CB 3.27Å; A116-M120 WeakPolarHBondContact O-CB 3.24Å; A116-M120 PolarHBondContact O-N 3.26Å; A116-F126 HydrophobicContact CB-CE2 4.25Å; A116-F347 HydrophobicContact CB-CE1 4.14Å; A116-F347 HydrophobicContact CB-CZ 4.46Å
117	L	98.5	Very high	98.5	Very high	8 Å²	8	18.4 Å²	18.4	4%	0.042	9%	0.09	C	C	.	.	H	α-helix	trans	-60.5	-49	172.2	-74.4	177.3	0	0	0	111.2	L27 V29 T113 L114 T119 M120 D121 T212 H215	L27-L117 HydrophobicContact CD2-CD1 4.49Å; L27-L117 HydrophobicContact CD2-CD2 3.64Å; L27-L117 HydrophobicContact CD2-CG 3.53Å; L27-L117 HydrophobicContact CG-CD2 4.3Å; V29-L117 HydrophobicContact CG2-CD2 4.21Å; T113-L117 PolarHBondContact O-N 2.85Å; L114-L117 PolarHBondContact O-N 3.29Å; L117-T119 VanDerWaalsContact C-N 3.32Å; L117-T119 PolarHBondContact O-N 3.14Å; L117-M120 HydrophobicContact CD2-CE 3.83Å; L117-M120 PolarHBondContact O-N 2.74Å; L117-D121 WeakPolarHBondContact O-CB 3.38Å; L117-D121 PolarHBondContact O-N 3.39Å; L117-T212 HydrophobicContact CB-CG2 3.46Å; L117-T212 VanDerWaalsContact CB-CG2 3.46Å; L117-T212 HydrophobicContact CD1-CG2 4.36Å; L117-H215 HydrophobicContact CD1-CB 3.94Å
118	E	98.8	Very high	98.5	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-58.3	-46.7	-179.9	-157.2	82.8	154.3	0	0	110.1	L114 A115 T122 A129 P183 L184 T212	L114-E118 WeakPolarHBondContact O-CB 3.46Å; L114-E118 PolarHBondContact O-N 2.99Å; A115-E118 PolarHBondContact O-N 2.78Å; E118-T122 HydrophobicContact CG-CG2 4.37Å; E118-T122 VanDerWaalsContact O-CB 3.23Å; E118-T122 WeakPolarHBondContact O-CB 3.31Å; E118-T122 WeakPolarHBondContact O-CG2 3.45Å; E118-T122 PolarHBondContact O-N 2.83Å; E118-T122 PolarHBondContact O-OG1 3.02Å; E118-A129 HydrophobicContact CB-CB 4.24Å; E118-P183 WeakPolarHBondContact OE1-CD 3.41Å; E118-L184 WeakPolarHBondContact OE1-CB 3.41Å; E118-L184 PolarHBondContact OE1-N 2.85Å; E118-T212 HydrophobicContact CB-CG2 4.13Å; E118-T212 WeakPolarHBondContact OE2-CB 3.47Å; E118-T212 WeakPolarHBondContact OE2-CG2 3.33Å; E118-T212 PolarHBondContact OE2-OG1 2.99Å
119	T	98.8	Very high	98.5	Very high	1 Å²	1	16.6 Å²	16.6	1%	0.006	8%	0.082	C	C	.	.	H	α-helix	trans	-61.3	-45	176.1	-75.9	0	0	0	0	112.9	A115 A116 L117 G123 K124 F126 P346 F347	A115-T119 WeakPolarHBondContact O-CB 3.26Å; A115-T119 PolarHBondContact O-N 3.39Å; A115-T119 PolarHBondContact O-OG1 3.1Å; A116-T119 PolarHBondContact O-N 2.82Å; L117-T119 VanDerWaalsContact C-N 3.32Å; L117-T119 PolarHBondContact O-N 3.14Å; T119-G123 VanDerWaalsContact O-CA 3.3Å; T119-G123 WeakPolarHBondContact O-CA 3.49Å; T119-G123 PolarHBondContact O-N 2.83Å; T119-K124 WeakPolarHBondContact CA-O 3.3Å; T119-K124 VanDerWaalsContact CB-O 3.24Å; T119-K124 WeakPolarHBondContact CB-O 3.24Å; T119-K124 WeakPolarHBondContact CG2-O 3.39Å; T119-K124 PolarHBondContact OG1-O 2.96Å; T119-F126 HydrophobicContact CG2-CB 4.42Å; T119-F126 WeakPolarHBondContact OG1-CA 3.47Å; T119-F126 PolarHBondContact OG1-N 2.77Å; T119-P346 HydrophobicContact CG2-CB 3.61Å; T119-F347 HydrophobicContact CG2-CD1 4.21Å; T119-F347 HydrophobicContact CG2-CD2 3.79Å; T119-F347 HydrophobicContact CG2-CE1 3.99Å; T119-F347 HydrophobicContact CG2-CE2 3.53Å; T119-F347 HydrophobicContact CG2-CG 4.14Å; T119-F347 HydrophobicContact CG2-CZ 3.64Å
120	M	98.3	Very high	98.5	Very high	20 Å²	20	11.7 Å²	11.7	10%	0.099	6%	0.064	C	C	.	.	H	α-helix	trans	-65.6	-40.7	-177.8	-177.3	171.6	58	0	0	112.1	V29 N53 I60 A116 L117 L211 F347	V29-M120 HydrophobicContact CG2-CE 3.84Å; N53-M120 WeakPolarHBondContact CA-O 3.41Å; N53-M120 VanDerWaalsContact CG-O 3.31Å; N53-M120 PolarHBondContact OD1-O 3.39Å; I60-M120 HydrophobicContact CD1-CG 3.87Å; I60-M120 HydrophobicContact CG1-CG 4.08Å; I60-M120 HydrophobicContact CG1-SD 4.5Å; I60-M120 HydrophobicContact CG2-CE 3.74Å; I60-M120 HydrophobicContact CG2-SD 4.02Å; A116-M120 VanDerWaalsContact O-CB 3.27Å; A116-M120 WeakPolarHBondContact O-CB 3.24Å; A116-M120 PolarHBondContact O-N 3.26Å; L117-M120 HydrophobicContact CD2-CE 3.83Å; L117-M120 PolarHBondContact O-N 2.74Å; M120-L211 HydrophobicContact CE-CD1 4.45Å; M120-F347 HydrophobicContact CB-CE2 4.5Å; M120-F347 HydrophobicContact CB-CZ 4.41Å
121	D	98.2	Very high	98.5	Very high	1 Å²	1	15.1 Å²	15.1	1%	0.005	8%	0.078	C	C	.	.	H	α-helix	trans	-84.5	-23.1	-175.7	-140.8	21.6	0	0	0	112.2	T51 I60 L117 T209 P210 L211	T51-D121 WeakPolarHBondContact CG2-OD1 3.05Å; T51-D121 PolarHBondContact OG1-OD1 2.84Å; I60-D121 HydrophobicContact CD1-CB 4.4Å; I60-D121 WeakPolarHBondContact CD1-OD1 3.38Å; L117-D121 WeakPolarHBondContact O-CB 3.38Å; L117-D121 PolarHBondContact O-N 3.39Å; D121-T209 WeakPolarHBondContact OD2-CA 3.43Å; D121-P210 WeakPolarHBondContact OD2-CD 3.3Å; D121-L211 HydrophobicContact CB-CD1 4.33Å; D121-L211 WeakPolarHBondContact OD2-CB 3.48Å; D121-L211 WeakPolarHBondContact OD2-CG 3.31Å; D121-L211 PolarHBondContact OD2-N 3.24Å
122	T	98.7	Very high	98.5	Very high	3 Å²	3	17.7 Å²	17.7	2%	0.018	9%	0.092	C	C	.	.	H	α-helix	trans	-112.5	-23.1	-175.6	67.6	0	0	0	0	115.2	P54 E118 K124 P183 T209	P54-T122 VanDerWaalsContact CG-C 3.41Å; P54-T122 WeakPolarHBondContact CG-O 3.14Å; E118-T122 HydrophobicContact CG-CG2 4.37Å; E118-T122 VanDerWaalsContact O-CB 3.23Å; E118-T122 WeakPolarHBondContact O-CB 3.31Å; E118-T122 WeakPolarHBondContact O-CG2 3.45Å; E118-T122 PolarHBondContact O-N 2.83Å; E118-T122 PolarHBondContact O-OG1 3.02Å; T122-K124 VanDerWaalsContact C-N 3.33Å; T122-K124 WeakPolarHBondContact OG1-CB 3.5Å; T122-K124 PolarHBondContact OG1-N 2.96Å; T122-P183 HydrophobicContact CG2-CG 3.48Å; T122-P183 VanDerWaalsContact CG2-CG 3.48Å; T122-T209 HydrophobicContact CG2-CG2 3.59Å
123	G	98.3	Very high	98.5	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.08	C	C	.	.			trans	79.7	7.1	-167.5	0	0	0	0	0	114.8	T119 P346 G354 P355	T119-G123 VanDerWaalsContact O-CA 3.3Å; T119-G123 WeakPolarHBondContact O-CA 3.49Å; T119-G123 PolarHBondContact O-N 2.83Å; G123-P346 WeakPolarHBondContact O-CB 3.47Å; G123-P346 VanDerWaalsContact O-CG 3.28Å; G123-P346 WeakPolarHBondContact O-CG 3.36Å; G123-G354 WeakPolarHBondContact O-CA 3.44Å; G123-P355 WeakPolarHBondContact O-CD 3.43Å
124	K	98.4	Very high	98.6	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	7%	0.069	C	C	.	.			trans	-62.2	137.7	174.9	-96.8	-173.6	170.9	-170.6	0	112.6	T119 T122 F126 D133 N309 P346	T119-K124 WeakPolarHBondContact CA-O 3.3Å; T119-K124 VanDerWaalsContact CB-O 3.24Å; T119-K124 WeakPolarHBondContact CB-O 3.24Å; T119-K124 WeakPolarHBondContact CG2-O 3.39Å; T119-K124 PolarHBondContact OG1-O 2.96Å; T122-K124 VanDerWaalsContact C-N 3.33Å; T122-K124 WeakPolarHBondContact OG1-CB 3.5Å; T122-K124 PolarHBondContact OG1-N 2.96Å; K124-F126 PolarHBondContact O-N 3.05Å; K124-D133 IonicContact NZ-OD1 2.79Å; K124-D133 PolarHBondContact NZ-OD1 3.49Å; K124-D133 IonicContact NZ-OD2 2.66Å; K124-D133 PolarHBondContact NZ-OD2 2.96Å; K124-N309 WeakPolarHBondContact CE-ND2 3.46Å; K124-N309 WeakPolarHBondContact CE-OD1 3.5Å; K124-N309 WeakPolarHBondContact CG-OD1 3.33Å; K124-P346 WeakPolarHBondContact O-CB 3.42Å
125	P	98.6	Very high	98.6	Very high	1 Å²	1	16.7 Å²	16.7	1%	0.006	8%	0.079	C	C	.	.			trans	-51.3	130.2	166.7	-25.2	32.8	0	0	0	111.4	L127 H128 A129 Q310 P346 T351 E352	P125-L127 PolarHBondContact O-N 2.91Å; P125-H128 HydrophobicContact CB-CB 4.35Å; P125-H128 WeakPolarHBondContact O-CA 3.42Å; P125-H128 WeakPolarHBondContact O-CB 3.45Å; P125-H128 PolarHBondContact O-N 3.32Å; P125-A129 PolarHBondContact O-N 3.32Å; P125-Q310 VanDerWaalsContact CD-NE2 3.34Å; P125-P346 CarbonylContact C-O 3.55Å; P125-P346 WeakPolarHBondContact CA-O 3.2Å; P125-T351 WeakPolarHBondContact CB-O 3.33Å; P125-T351 HydrophobicContact CG-CG2 4.24Å; P125-E352 WeakPolarHBondContact CG-O 3.23Å
126	F	98.6	Very high	98.6	Very high	3 Å²	3	17.6 Å²	17.6	1%	0.013	9%	0.089	C	C	.	.	H	α-helix	trans	-55.5	-38.5	-175.3	172.7	-100.6	0	0	0	112.8	P21 P23 A115 A116 T119 K124 H128 A129 F130 P346 F347	P21-F126 HydrophobicContact CB-CE1 4.08Å; P21-F126 HydrophobicContact CB-CZ 4.32Å; P21-F126 HydrophobicContact CG-CE1 3.93Å; P21-F126 HydrophobicContact CG-CZ 4.5Å; P23-F126 HydrophobicContact CB-CB 4.5Å; P23-F126 HydrophobicContact CB-CD1 3.79Å; P23-F126 HydrophobicContact CB-CD2 4.33Å; P23-F126 HydrophobicContact CB-CE1 4.02Å; P23-F126 HydrophobicContact CB-CG 3.95Å; P23-F126 HydrophobicContact CB-CZ 4.39Å; P23-F126 HydrophobicContact CG-CD1 3.77Å; P23-F126 HydrophobicContact CG-CE1 4.07Å; P23-F126 HydrophobicContact CG-CG 4.34Å; A115-F126 HydrophobicContact CB-CD2 3.91Å; A115-F126 HydrophobicContact CB-CE2 3.53Å; A115-F126 HydrophobicContact CB-CZ 4.29Å; A116-F126 HydrophobicContact CB-CE2 4.25Å; T119-F126 HydrophobicContact CG2-CB 4.42Å; T119-F126 WeakPolarHBondContact OG1-CA 3.47Å; T119-F126 PolarHBondContact OG1-N 2.77Å; K124-F126 PolarHBondContact O-N 3.05Å; F126-H128 VanDerWaalsContact C-N 3.31Å; F126-H128 PolarHBondContact O-N 2.88Å; F126-A129 PolarHBondContact O-N 3.03Å; F126-F130 HydrophobicContact CZ-CD2 4.23Å; F126-F130 WeakPolarHBondContact O-CB 3.32Å; F126-F130 PolarHBondContact O-N 2.91Å; F126-P346 PolarHBondContact N-O 3.48Å; F126-F347 HydrophobicContact CB-CD1 4.33Å; F126-F347 HydrophobicContact CD2-CE1 4.34Å
127	L	98.2	Very high	98.6	Very high	32 Å²	32	17.6 Å²	17.6	17%	0.168	9%	0.089	C	C	.	.	H	α-helix	trans	-66.3	-33.4	177.4	-60	-175.7	0	0	0	112.2	P125 F131 V349	P125-L127 PolarHBondContact O-N 2.91Å; L127-F131 HydrophobicContact CB-CD2 4.26Å; L127-F131 HydrophobicContact CD2-CE2 4.05Å; L127-F131 WeakPolarHBondContact O-CB 3.45Å; L127-F131 VanDerWaalsContact O-CD2 3.31Å; L127-F131 WeakPolarHBondContact O-CD2 3.29Å; L127-F131 PolarHBondContact O-N 3.12Å; L127-V349 HydrophobicContact CD1-CB 4.17Å; L127-V349 WeakPolarHBondContact CD1-O 3.27Å
128	H	98.5	Very high	98.6	Very high	30 Å²	30	17.4 Å²	17.4	14%	0.139	9%	0.088	C	C	.	.	H	α-helix	trans	-70.6	-45.9	173.8	-64.1	178.8	0	0	0	110.7	P125 F126 F130 I132 D133 E352	P125-H128 HydrophobicContact CB-CB 4.35Å; P125-H128 WeakPolarHBondContact O-CA 3.42Å; P125-H128 WeakPolarHBondContact O-CB 3.45Å; P125-H128 PolarHBondContact O-N 3.32Å; F126-H128 VanDerWaalsContact C-N 3.31Å; F126-H128 PolarHBondContact O-N 2.88Å; H128-F130 VanDerWaalsContact C-N 3.26Å; H128-F130 PolarHBondContact O-N 3.19Å; H128-I132 HydrophobicContact CB-CD1 4.07Å; H128-I132 WeakPolarHBondContact O-CA 3.5Å; H128-I132 WeakPolarHBondContact O-CB 3.35Å; H128-I132 PolarHBondContact O-N 3.1Å; H128-D133 PolarHBondContact O-N 3.08Å; H128-E352 PolarHBondContact CE1-O 3.44Å; H128-E352 VanDerWaalsContact CE1-O 3.28Å
129	A	98.8	Very high	98.6	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	11%	0.114	C	C	.	.	I	π-helix	trans	-57.4	-41.7	175.5	0	0	0	0	0	111.6	A115 E118 P125 F126 D133 L134	A115-A129 HydrophobicContact CB-CB 4.18Å; E118-A129 HydrophobicContact CB-CB 4.24Å; P125-A129 PolarHBondContact O-N 3.32Å; F126-A129 PolarHBondContact O-N 3.03Å; A129-D133 WeakPolarHBondContact O-CB 3.41Å; A129-L134 PolarHBondContact O-N 3.43Å
130	F	98.7	Very high	98.6	Very high	29 Å²	29	24.3 Å²	24.3	13%	0.127	11%	0.114	C	C	.	.	I	π-helix	trans	-73.6	-50.6	-178.7	-166.9	-84.9	0	0	0	113.5	P21 R111 A112 A115 F126 H128	P21-F130 HydrophobicContact CB-CD2 4.26Å; P21-F130 HydrophobicContact CB-CE1 4.4Å; P21-F130 HydrophobicContact CB-CE2 3.98Å; P21-F130 HydrophobicContact CB-CZ 4.06Å; P21-F130 HydrophobicContact CG-CD1 3.82Å; P21-F130 HydrophobicContact CG-CD2 4.07Å; P21-F130 HydrophobicContact CG-CE1 3.89Å; P21-F130 HydrophobicContact CG-CE2 4.12Å; P21-F130 HydrophobicContact CG-CG 3.91Å; P21-F130 HydrophobicContact CG-CZ 4.04Å; R111-F130 HydrophobicContact CB-CE2 4.06Å; R111-F130 HydrophobicContact CB-CZ 4.47Å; R111-F130 HydrophobicContact CG-CD2 3.88Å; R111-F130 HydrophobicContact CG-CE1 4.43Å; R111-F130 HydrophobicContact CG-CE2 3.55Å; R111-F130 HydrophobicContact CG-CG 4.45Å; R111-F130 HydrophobicContact CG-CZ 3.86Å; R111-F130 PolarHBondContact NE-O 2.9Å; R111-F130 PolarHBondContact NH2-O 2.86Å; A112-F130 HydrophobicContact CB-CE2 4.16Å; A115-F130 HydrophobicContact CB-CB 4Å; A115-F130 HydrophobicContact CB-CD2 3.96Å; A115-F130 HydrophobicContact CB-CG 4.48Å; F126-F130 HydrophobicContact CZ-CD2 4.23Å; F126-F130 WeakPolarHBondContact O-CB 3.32Å; F126-F130 PolarHBondContact O-N 2.91Å; H128-F130 VanDerWaalsContact C-N 3.26Å; H128-F130 PolarHBondContact O-N 3.19Å
131	F	98.5	Very high	98.6	Very high	99 Å²	99	23.3 Å²	23.3	43%	0.434	11%	0.109	S	C	.	.	I	π-helix	trans	-90.9	-14.9	-172.2	-66.4	-58.7	0	0	0	114.5	L20 P21 L127 E135	L20-F131 HydrophobicContact CD2-CE2 3.94Å; L20-F131 HydrophobicContact CD2-CZ 4.08Å; P21-F131 HydrophobicContact CG-CZ 4.24Å; L127-F131 HydrophobicContact CB-CD2 4.26Å; L127-F131 HydrophobicContact CD2-CE2 4.05Å; L127-F131 WeakPolarHBondContact O-CB 3.45Å; L127-F131 VanDerWaalsContact O-CD2 3.31Å; L127-F131 WeakPolarHBondContact O-CD2 3.29Å; L127-F131 PolarHBondContact O-N 3.12Å; F131-E135 WeakPolarHBondContact O-CB 3.19Å
132	I	98.4	Very high	98.7	Very high	73 Å²	73	28.3 Å²	28.3	37%	0.374	13%	0.128	S	C	.	.	I	π-helix	trans	-115.2	-62.7	-176.7	-52.7	172.4	0	0	0	109.9	H128 G136 F308	H128-I132 HydrophobicContact CB-CD1 4.07Å; H128-I132 WeakPolarHBondContact O-CA 3.5Å; H128-I132 WeakPolarHBondContact O-CB 3.35Å; H128-I132 PolarHBondContact O-N 3.1Å; I132-G136 PolarHBondContact O-N 3.19Å; I132-F308 HydrophobicContact CD1-CE2 3.56Å; I132-F308 HydrophobicContact CD1-CZ 4.08Å; I132-F308 HydrophobicContact CG2-CZ 3.92Å
133	D	98.8	Very high	98.7	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	14%	0.135	C	C	.	.	I	π-helix	trans	-65.2	-54.5	-173.8	-70.8	38.9	0	0	0	111.6	K124 H128 A129 G136 C137	K124-D133 IonicContact NZ-OD1 2.79Å; K124-D133 PolarHBondContact NZ-OD1 3.49Å; K124-D133 IonicContact NZ-OD2 2.66Å; K124-D133 PolarHBondContact NZ-OD2 2.96Å; H128-D133 PolarHBondContact O-N 3.08Å; A129-D133 WeakPolarHBondContact O-CB 3.41Å; D133-G136 PolarHBondContact O-N 2.89Å; D133-C137 PolarHBondContact O-N 3.43Å; D133-C137 PolarHBondContact O-SG 3Å
134	L	98.8	Very high	98.7	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-71	-33.5	-177.9	-86.5	37.2	0	0	0	112.4	R111 L114 A115 A129 G136 C137 I138 L184	R111-L134 HydrophobicContact CG-CB 3.97Å; R111-L134 HydrophobicContact CG-CD2 3.82Å; R111-L134 HydrophobicContact CG-CG 4.33Å; R111-L134 WeakPolarHBondContact O-CD2 3.42Å; L114-L134 HydrophobicContact CB-CD1 4.48Å; L114-L134 HydrophobicContact CB-CD2 3.97Å; L114-L134 HydrophobicContact CB-CG 4.33Å; A115-L134 HydrophobicContact CB-CD2 3.51Å; A115-L134 VanDerWaalsContact N-CD2 3.3Å; A129-L134 PolarHBondContact O-N 3.43Å; L134-G136 VanDerWaalsContact C-N 3.32Å; L134-G136 PolarHBondContact O-N 3.45Å; L134-C137 WeakPolarHBondContact O-CB 3.39Å; L134-C137 PolarHBondContact O-N 3.23Å; L134-I138 WeakPolarHBondContact O-CB 3.41Å; L134-I138 VanDerWaalsContact O-CD1 3.26Å; L134-I138 WeakPolarHBondContact O-CD1 3.43Å; L134-I138 WeakPolarHBondContact O-CG1 3.5Å; L134-I138 PolarHBondContact O-N 2.93Å; L134-L184 HydrophobicContact CD1-CD2 3.81Å
135	E	98.8	Very high	98.8	Very high	49 Å²	49	30.4 Å²	30.4	23%	0.229	14%	0.137	C	C	.	.	H	α-helix	trans	-58.6	-47.3	169.6	-173.6	62.6	-161.2	0	0	110.9	R111 F131 C137 I138 R139	R111-E135 IonicContact CZ-OE2 2.83Å; R111-E135 IonicContact NH1-OE2 2.9Å; R111-E135 PolarHBondContact NH1-OE2 3.02Å; R111-E135 IonicContact NH2-OE2 3.76Å; R111-E135 PolarHBondContact NH2-OE2 3.49Å; F131-E135 WeakPolarHBondContact O-CB 3.19Å; E135-C137 VanDerWaalsContact C-N 3.33Å; E135-C137 PolarHBondContact O-N 3.47Å; E135-I138 PolarHBondContact O-N 3.45Å; E135-R139 WeakPolarHBondContact O-CB 3.19Å; E135-R139 VanDerWaalsContact O-CG 3.29Å; E135-R139 WeakPolarHBondContact O-CG 3.31Å; E135-R139 PolarHBondContact O-N 3.33Å; E135-R139 IonicContact OE1-CZ 3.53Å; E135-R139 IonicContact OE1-NE 2.67Å; E135-R139 PolarHBondContact OE1-NE 2.95Å; E135-R139 IonicContact OE1-NH2 2.6Å; E135-R139 PolarHBondContact OE1-NH2 3.4Å
136	G	98.8	Very high	98.8	Very high	20 Å²	20	31.7 Å²	31.7	21%	0.206	15%	0.15	C	C	.	.	H	α-helix	trans	-60.5	-40.8	175.4	0	0	0	0	0	112.4	I132 D133 L134 T140	I132-G136 PolarHBondContact O-N 3.19Å; D133-G136 PolarHBondContact O-N 2.89Å; L134-G136 VanDerWaalsContact C-N 3.32Å; L134-G136 PolarHBondContact O-N 3.45Å; G136-T140 VanDerWaalsContact O-CB 3.23Å; G136-T140 WeakPolarHBondContact O-CB 3.38Å; G136-T140 PolarHBondContact O-N 2.96Å; G136-T140 PolarHBondContact O-OG1 3.46Å
137	C	98.9	Very high	98.8	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-61.2	-53.1	177	-66.8	0	0	0	0	111.4	D133 L134 E135 R139 T140 L141 L185 V188	D133-C137 PolarHBondContact O-N 3.43Å; D133-C137 PolarHBondContact O-SG 3Å; L134-C137 WeakPolarHBondContact O-CB 3.39Å; L134-C137 PolarHBondContact O-N 3.23Å; E135-C137 VanDerWaalsContact C-N 3.33Å; E135-C137 PolarHBondContact O-N 3.47Å; C137-R139 PolarHBondContact O-N 2.85Å; C137-T140 PolarHBondContact O-N 2.89Å; C137-L141 WeakPolarHBondContact O-CG 3.49Å; C137-L141 PolarHBondContact O-N 3.28Å; C137-L185 VanDerWaalsContact SG-CA 3.5Å; C137-V188 HydrophobicContact CB-CB 4.49Å; C137-V188 HydrophobicContact CB-CG1 4.46Å; C137-V188 HydrophobicContact CB-CG2 4.13Å
138	I	98.9	Very high	98.8	Very high	4 Å²	4	32.3 Å²	32.3	2%	0.021	15%	0.151	C	C	.	.	H	α-helix	trans	-64.6	-44.5	-175.7	-63.4	157.2	0	0	0	110.1	A104 V107 E108 R111 L134 E135 T140 L141 R142	A104-I138 HydrophobicContact CB-CG2 4.44Å; V107-I138 HydrophobicContact CB-CG1 4.28Å; V107-I138 HydrophobicContact CG1-CD1 4.26Å; V107-I138 HydrophobicContact CG1-CG1 3.66Å; E108-I138 HydrophobicContact CB-CD1 4.06Å; E108-I138 HydrophobicContact CG-CD1 4.44Å; E108-I138 WeakPolarHBondContact OE2-CD1 3.42Å; R111-I138 HydrophobicContact CG-CD1 4.48Å; L134-I138 WeakPolarHBondContact O-CB 3.41Å; L134-I138 VanDerWaalsContact O-CD1 3.26Å; L134-I138 WeakPolarHBondContact O-CD1 3.43Å; L134-I138 WeakPolarHBondContact O-CG1 3.5Å; L134-I138 PolarHBondContact O-N 2.93Å; E135-I138 PolarHBondContact O-N 3.45Å; I138-T140 VanDerWaalsContact C-N 3.35Å; I138-T140 PolarHBondContact O-N 2.93Å; I138-L141 PolarHBondContact O-N 3.25Å; I138-R142 WeakPolarHBondContact O-CB 3.44Å; I138-R142 WeakPolarHBondContact O-CG 3.4Å; I138-R142 PolarHBondContact O-N 3.49Å
139	R	98.9	Very high	98.8	Very high	143 Å²	143	34.9 Å²	34.9	54%	0.54	17%	0.166	S	C	.	.	H	α-helix	trans	-60.5	-43.1	175.1	-73.7	-175.7	-176.4	-167.7	5.5	112.4	E135 C137 R142 Y143	E135-R139 WeakPolarHBondContact O-CB 3.19Å; E135-R139 VanDerWaalsContact O-CG 3.29Å; E135-R139 WeakPolarHBondContact O-CG 3.31Å; E135-R139 PolarHBondContact O-N 3.33Å; E135-R139 IonicContact OE1-CZ 3.53Å; E135-R139 IonicContact OE1-NE 2.67Å; E135-R139 PolarHBondContact OE1-NE 2.95Å; E135-R139 IonicContact OE1-NH2 2.6Å; E135-R139 PolarHBondContact OE1-NH2 3.4Å; C137-R139 PolarHBondContact O-N 2.85Å; R139-R142 PolarHBondContact O-N 3.39Å; R139-Y143 VanDerWaalsContact O-CB 3.31Å; R139-Y143 WeakPolarHBondContact O-CB 3.09Å; R139-Y143 PolarHBondContact O-N 2.87Å
140	T	98.9	Very high	98.8	Very high	3 Å²	3	39.8 Å²	39.8	2%	0.018	19%	0.187	C	C	.	.	H	α-helix	trans	-66.8	-44.5	-178.8	-58.5	0	0	0	0	111.5	G136 C137 I138 R142 Y143 F144 V188 A192 L489	G136-T140 VanDerWaalsContact O-CB 3.23Å; G136-T140 WeakPolarHBondContact O-CB 3.38Å; G136-T140 PolarHBondContact O-N 2.96Å; G136-T140 PolarHBondContact O-OG1 3.46Å; C137-T140 PolarHBondContact O-N 2.89Å; I138-T140 VanDerWaalsContact C-N 3.35Å; I138-T140 PolarHBondContact O-N 2.93Å; T140-R142 VanDerWaalsContact C-N 3.34Å; T140-R142 PolarHBondContact O-N 2.89Å; T140-Y143 PolarHBondContact O-N 3.28Å; T140-F144 HydrophobicContact CG2-CD2 3.81Å; T140-F144 HydrophobicContact CG2-CE2 3.89Å; T140-F144 WeakPolarHBondContact O-CD2 3.42Å; T140-F144 PolarHBondContact O-N 3.41Å; T140-F144 VanDerWaalsContact O-N 3.1Å; T140-V188 HydrophobicContact CG2-CG1 3.98Å; T140-A192 HydrophobicContact CG2-CB 4.11Å; T140-L489 HydrophobicContact CG2-CD2 3.76Å
141	L	98.9	Very high	98.8	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-58	-47.5	174.3	-72.4	169	0	0	0	111.2	L100 L103 A104 V107 C137 I138 Y143 A145 V188 L191 A192	L100-L141 HydrophobicContact CD2-CD2 4.14Å; L103-L141 HydrophobicContact CD2-CD1 4.49Å; L103-L141 HydrophobicContact CD2-CD2 4Å; L103-L141 HydrophobicContact CG-CD1 4.21Å; A104-L141 HydrophobicContact CB-CB 3.74Å; A104-L141 HydrophobicContact CB-CD1 4.18Å; V107-L141 HydrophobicContact CG2-CD1 4.08Å; C137-L141 WeakPolarHBondContact O-CG 3.49Å; C137-L141 PolarHBondContact O-N 3.28Å; I138-L141 PolarHBondContact O-N 3.25Å; L141-Y143 PolarHBondContact O-N 2.76Å; L141-A145 VanDerWaalsContact O-CB 3.26Å; L141-A145 WeakPolarHBondContact O-CB 3.32Å; L141-A145 PolarHBondContact O-N 3.06Å; L141-V188 HydrophobicContact CD2-CG1 4.03Å; L141-V188 HydrophobicContact CG-CG1 3.75Å; L141-L191 HydrophobicContact CD2-CD2 4.11Å; L141-A192 HydrophobicContact CD2-CB 4.12Å
142	R	98.9	Very high	98.8	Very high	105 Å²	105	42.6 Å²	42.6	40%	0.396	20%	0.203	S	C	.	.	H	α-helix	trans	-65.7	-37.5	179.4	-72	-179.4	172.5	-172.6	-1.7	113	A104 D105 I138 R139 T140 G146	A104-R142 HydrophobicContact CB-CG 3.69Å; D105-R142 IonicContact OD1-CZ 2.69Å; D105-R142 IonicContact OD1-NE 2.66Å; D105-R142 IonicContact OD1-NH2 3.19Å; D105-R142 PolarHBondContact OD1-NH2 2.81Å; I138-R142 WeakPolarHBondContact O-CB 3.44Å; I138-R142 WeakPolarHBondContact O-CG 3.4Å; I138-R142 PolarHBondContact O-N 3.49Å; R139-R142 PolarHBondContact O-N 3.39Å; T140-R142 VanDerWaalsContact C-N 3.34Å; T140-R142 PolarHBondContact O-N 2.89Å; R142-G146 PolarHBondContact O-N 3.08Å
143	Y	98.9	Very high	98.8	Very high	43 Å²	43	40.7 Å²	40.7	17%	0.169	20%	0.201	C	C	.	.	H	α-helix	trans	-62.1	-52.2	177.3	177.2	-102.6	0	0	0	111.3	R139 T140 L141 G146 W147 A473 Q474 E491	R139-Y143 VanDerWaalsContact O-CB 3.31Å; R139-Y143 WeakPolarHBondContact O-CB 3.09Å; R139-Y143 PolarHBondContact O-N 2.87Å; T140-Y143 PolarHBondContact O-N 3.28Å; L141-Y143 PolarHBondContact O-N 2.76Å; Y143-G146 PolarHBondContact O-N 2.65Å; Y143-W147 AromaticContact CD1-CD1 3.97Å; Y143-W147 AromaticContact CE1-CD1 3.56Å; Y143-W147 AromaticContact CE1-NE1 3.3Å; Y143-W147 VanDerWaalsContact CE1-NE1 3.3Å; Y143-W147 AromaticContact CE2-NE1 3.54Å; Y143-W147 AromaticContact CZ-CD1 3.72Å; Y143-W147 AromaticContact CZ-NE1 2.99Å; Y143-W147 PolarHBondContact OH-NE1 3Å; Y143-A473 HydrophobicContact CD1-CB 4.11Å; Y143-A473 VanDerWaalsContact CD1-O 3.25Å; Y143-A473 WeakPolarHBondContact CD1-O 3.25Å; Y143-A473 HydrophobicContact CD2-CB 4.48Å; Y143-A473 WeakPolarHBondContact CE1-O 3.43Å; Y143-A473 HydrophobicContact CG-CB 3.83Å; Y143-Q474 HydrophobicContact CD2-CG 3.89Å; Y143-Q474 HydrophobicContact CE2-CB 4.03Å; Y143-Q474 HydrophobicContact CE2-CG 3.62Å; Y143-E491 PolarHBondContact OH-N 2.96Å
144	F	98.9	Very high	98.8	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-74.5	-24.8	-179.3	-74.9	-67.9	0	0	0	113.6	T140 G146 W147 A148 A192 P193 C196 L489 G490 A493 L494	T140-F144 HydrophobicContact CG2-CD2 3.81Å; T140-F144 HydrophobicContact CG2-CE2 3.89Å; T140-F144 WeakPolarHBondContact O-CD2 3.42Å; T140-F144 PolarHBondContact O-N 3.41Å; T140-F144 VanDerWaalsContact O-N 3.1Å; F144-G146 PolarHBondContact O-N 3.1Å; F144-W147 PolarHBondContact O-N 2.99Å; F144-A148 PolarHBondContact O-N 3.48Å; F144-A192 HydrophobicContact CB-CB 3.9Å; F144-A192 HydrophobicContact CD2-CB 3.67Å; F144-A192 HydrophobicContact CG-CB 4.11Å; F144-P193 HydrophobicContact CD1-CB 3.88Å; F144-P193 HydrophobicContact CD2-CB 4.43Å; F144-P193 HydrophobicContact CE1-CB 3.69Å; F144-P193 HydrophobicContact CE2-CB 4.25Å; F144-P193 HydrophobicContact CE2-CG 4.27Å; F144-P193 HydrophobicContact CG-CB 4.26Å; F144-P193 HydrophobicContact CZ-CB 3.88Å; F144-P193 HydrophobicContact CZ-CG 4.25Å; F144-C196 HydrophobicContact CB-CB 4.12Å; F144-C196 WeakPolarHBondContact O-CB 3.23Å; F144-C196 PolarHBondContact O-SG 3.4Å; F144-L489 HydrophobicContact CE2-CD2 4.16Å; F144-G490 WeakPolarHBondContact CE1-O 3.42Å; F144-G490 WeakPolarHBondContact CZ-O 3.17Å; F144-A493 HydrophobicContact CE1-CB 4.22Å; F144-A493 HydrophobicContact CZ-CB 3.92Å; F144-L494 HydrophobicContact CD1-CD2 3.91Å; F144-L494 HydrophobicContact CE1-CD2 3.92Å; F144-L494 HydrophobicContact CE1-CG 4.43Å
145	A	98.9	Very high	98.8	Very high	4 Å²	4	53.4 Å²	53.4	3%	0.033	27%	0.267	C	S	.	.	H	α-helix	trans	-55	-40.5	168	0	0	0	0	0	111.6	G97 L100 H101 L141 W147 A148	G97-A145 VanDerWaalsContact CA-O 3.3Å; G97-A145 WeakPolarHBondContact CA-O 3.37Å; G97-A145 WeakPolarHBondContact O-CB 3.48Å; L100-A145 HydrophobicContact CB-CB 3.61Å; H101-A145 HydrophobicContact CB-CB 4.45Å; H101-A145 VanDerWaalsContact CE1-CB 3.41Å; H101-A145 WeakPolarHBondContact CE1-CB 3.24Å; H101-A145 WeakPolarHBondContact NE2-CB 3.49Å; L141-A145 VanDerWaalsContact O-CB 3.26Å; L141-A145 WeakPolarHBondContact O-CB 3.32Å; L141-A145 PolarHBondContact O-N 3.06Å; A145-W147 VanDerWaalsContact C-N 3.3Å; A145-W147 PolarHBondContact O-N 2.82Å; A145-A148 PolarHBondContact O-N 3.02Å
146	G	98.8	Very high	98.8	Very high	28 Å²	28	54.3 Å²	54.3	29%	0.289	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-18.1	176.7	0	0	0	0	0	115.1	R142 Y143 F144 K150	R142-G146 PolarHBondContact O-N 3.08Å; Y143-G146 PolarHBondContact O-N 2.65Å; F144-G146 PolarHBondContact O-N 3.1Å; G146-K150 WeakPolarHBondContact O-CD 3.35Å; G146-K150 PolarHBondContact O-NZ 3.4Å
147	W	98.9	Very high	98.7	Very high	47 Å²	47	59.4 Å²	59.4	18%	0.178	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-17.7	178.7	-83.8	105.9	0	0	0	113.9	Y143 F144 A145 D149 K150 I151 C196 E491 L494	Y143-W147 AromaticContact CD1-CD1 3.97Å; Y143-W147 AromaticContact CE1-CD1 3.56Å; Y143-W147 AromaticContact CE1-NE1 3.3Å; Y143-W147 VanDerWaalsContact CE1-NE1 3.3Å; Y143-W147 AromaticContact CE2-NE1 3.54Å; Y143-W147 AromaticContact CZ-CD1 3.72Å; Y143-W147 AromaticContact CZ-NE1 2.99Å; Y143-W147 PolarHBondContact OH-NE1 3Å; F144-W147 PolarHBondContact O-N 2.99Å; A145-W147 VanDerWaalsContact C-N 3.3Å; A145-W147 PolarHBondContact O-N 2.82Å; W147-D149 PolarHBondContact O-N 2.81Å; W147-K150 HydrophobicContact CE3-CB 3.8Å; W147-K150 HydrophobicContact CZ3-CB 4.16Å; W147-K150 PolarHBondContact O-N 2.8Å; W147-I151 PolarHBondContact O-N 3.37Å; W147-C196 VanDerWaalsContact C-SG 3.55Å; W147-C196 VanDerWaalsContact CB-SG 3.55Å; W147-E491 HydrophobicContact CH2-CB 3.9Å; W147-E491 VanDerWaalsContact CH2-CD 3.48Å; W147-E491 HydrophobicContact CH2-CG 3.52Å; W147-E491 HydrophobicContact CZ2-CB 3.74Å; W147-E491 HydrophobicContact CZ2-CG 3.89Å; W147-E491 HydrophobicContact CZ3-CG 3.98Å; W147-L494 HydrophobicContact CB-CD1 4.12Å; W147-L494 HydrophobicContact CB-CD2 4.28Å; W147-L494 HydrophobicContact CD2-CD1 3.66Å; W147-L494 HydrophobicContact CE3-CD1 3.55Å; W147-L494 HydrophobicContact CG-CD1 3.92Å; W147-L494 HydrophobicContact CZ3-CD1 4.19Å
148	A	98.8	Very high	98.5	Very high	2 Å²	2	62.6 Å²	62.6	2%	0.017	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-35.3	-168	0	0	0	0	0	113.8	A93 R96 F144 A145 C196	A93-A148 WeakPolarHBondContact CB-O 3.22Å; A93-A148 VanDerWaalsContact O-CB 3.27Å; A93-A148 WeakPolarHBondContact O-CB 3.44Å; R96-A148 HydrophobicContact CB-CB 4.39Å; R96-A148 PolarHBondContact NH2-O 2.83Å; F144-A148 PolarHBondContact O-N 3.48Å; A145-A148 PolarHBondContact O-N 3.02Å; A148-C196 WeakPolarHBondContact CA-SG 2.92Å; A148-C196 PolarHBondContact N-SG 3.09Å; A148-C196 VanDerWaalsContact N-SG 3.39Å
149	D	98.7	Very high	98.3	Very high	84 Å²	84	68.1 Å²	68.1	45%	0.449	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.5	7.6	178	67.5	-7.4	0	0	0	114.6	A93 L94 W147	A93-D149 HydrophobicContact CB-CB 4.06Å; L94-D149 HydrophobicContact CB-CB 4.32Å; W147-D149 PolarHBondContact O-N 2.81Å
150	K	98.9	Very high	98	Very high	103 Å²	103	68.6 Å²	68.6	45%	0.448	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.6	4.2	-179.3	-65.9	172.7	-165.7	64.5	0	113.3	G146 W147 Q152	G146-K150 WeakPolarHBondContact O-CD 3.35Å; G146-K150 PolarHBondContact O-NZ 3.4Å; W147-K150 HydrophobicContact CE3-CB 3.8Å; W147-K150 HydrophobicContact CZ3-CB 4.16Å; W147-K150 PolarHBondContact O-N 2.8Å; K150-Q152 PolarHBondContact O-N 3.5Å
151	I	98.8	Very high	97.8	Very high	42 Å²	42	71.3 Å²	71.3	22%	0.215	38%	0.379	C	S	.	.			trans	-74.2	108.3	172.1	-60.9	158.6	0	0	0	108.6	W147 H168 C197 L494 T498	W147-I151 PolarHBondContact O-N 3.37Å; I151-H168 HydrophobicContact CG2-CB 3.9Å; I151-C197 HydrophobicContact CD1-CB 4.15Å; I151-C197 VanDerWaalsContact CD1-SG 3.54Å; I151-L494 HydrophobicContact CD1-CD2 4.47Å; I151-L494 HydrophobicContact CG1-CD1 4.15Å; I151-T498 HydrophobicContact CG2-CG2 4Å
152	Q	98.8	Very high	97.7	Very high	145 Å²	145	72.8 Å²	72.8	68%	0.678	39%	0.388	S	S	*	.			trans	-114.6	144.5	-172.1	-68.2	170	4.6	0	0	112	K150 H168	K150-Q152 PolarHBondContact O-N 3.5Å; Q152-H168 PolarHBondContact O-CE1 2.76Å; Q152-H168 VanDerWaalsContact O-CE1 3.24Å; Q152-H168 PolarHBondContact O-ND1 3.12Å; Q152-H168 VanDerWaalsContact O-ND1 3.15Å
153	G	98.5	Very high	97.6	Very high	33 Å²	33	70.9 Å²	70.9	34%	0.34	39%	0.388	S	S	.	.			trans	-82.8	-161.6	162.7	0	0	0	0	0	111.8	T166	G153-T166 WeakPolarHBondContact CA-O 3.46Å; G153-T166 WeakPolarHBondContact CA-OG1 3.25Å
154	K	98.8	Very high	97.6	Very high	140 Å²	140	69.5 Å²	69.5	61%	0.609	39%	0.385	S	S	*	.			trans	-133.9	146.2	179.6	-59	-177	-175.1	-66.6	0	110.3	I156 F165 T166	K154-I156 HydrophobicContact CB-CG1 4.33Å; K154-F165 CarbonylContact O-C 3.48Å; K154-F165 WeakPolarHBondContact O-CA 3.44Å; K154-F165 WeakPolarHBondContact O-CB 3.4Å; K154-T166 PolarHBondContact N-OG1 3.33Å; K154-T166 PolarHBondContact O-N 3.25Å
155	T	98.6	Very high	97.6	Very high	127 Å²	127	72.6 Å²	72.6	78%	0.779	40%	0.398	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.2	129.9	159.6	52.8	0	0	0	0	108.1
156	I	98.4	Very high	97.6	Very high	68 Å²	68	73.2 Å²	73.2	35%	0.349	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	122	-171	-58.8	173.6	0	0	0	108.5	K154 T158 C164 T166	K154-I156 HydrophobicContact CB-CG1 4.33Å; I156-T158 HydrophobicContact CG2-CG2 4.25Å; I156-T158 PolarHBondContact O-N 3.08Å; I156-C164 HydrophobicContact CB-CB 4.21Å; I156-C164 PolarHBondContact N-O 3.48Å; I156-T166 HydrophobicContact CD1-CG2 3.8Å
157	P	96.6	Very high	97.6	Very high	127 Å²	127	77.8 Å²	77.8	83%	0.825	41%	0.41	S	S	*	.			trans	-68.6	121	173.6	28.7	-32.5	0	0	0	109.5
158	T	95.7	Very high	97.6	Very high	66 Å²	66	78.5 Å²	78.5	41%	0.405	42%	0.415	S	S	.	.			trans	-122.7	-151.5	175.8	50.7	0	0	0	0	109.2	I156 V162 C164	I156-T158 HydrophobicContact CG2-CG2 4.25Å; I156-T158 PolarHBondContact O-N 3.08Å; T158-V162 WeakPolarHBondContact OG1-CG1 3.34Å; T158-V162 PolarHBondContact OG1-O 2.73Å; T158-V162 VanDerWaalsContact OG1-O 3.1Å; T158-C164 HydrophobicContact CG2-CB 3.56Å
159	D	94.1	Very high	97.6	Very high	121 Å²	121	80.1 Å²	80.1	65%	0.647	42%	0.422	S	S	*	.			trans	-66.8	154.7	173.9	-57.7	-24.9	0	0	0	111.9	N161 V162	D159-N161 PolarHBondContact O-N 3.3Å; D159-N161 VanDerWaalsContact O-N 3.08Å; D159-V162 HydrophobicContact CB-CG2 4.31Å; D159-V162 PolarHBondContact O-N 3.29Å
160	D	92.4	Very high	97.6	Very high	153 Å²	153	77.4 Å²	77.4	82%	0.818	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-33.7	-172.4	-65.3	-14.5	0	0	0	114.7
161	N	93.9	Very high	97.6	Very high	60 Å²	60	73.4 Å²	73.4	32%	0.321	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.3	20.4	-179.1	68	-0.7	0	0	0	113.7	D159 L507	D159-N161 PolarHBondContact O-N 3.3Å; D159-N161 VanDerWaalsContact O-N 3.08Å; N161-L507 PolarHBondContact O-N 3.43Å
162	V	96.9	Very high	97.6	Very high	30 Å²	30	71.4 Å²	71.4	18%	0.182	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	123.6	-177.2	-179.9	0	0	0	0	111.1	T158 D159 T504 I505	T158-V162 WeakPolarHBondContact OG1-CG1 3.34Å; T158-V162 PolarHBondContact OG1-O 2.73Å; T158-V162 VanDerWaalsContact OG1-O 3.1Å; D159-V162 HydrophobicContact CB-CG2 4.31Å; D159-V162 PolarHBondContact O-N 3.29Å; V162-T504 HydrophobicContact CG1-CG2 3.33Å; V162-I505 WeakPolarHBondContact CA-O 3.32Å
163	V	97.9	Very high	97.6	Very high	66 Å²	66	64.5 Å²	64.5	40%	0.4	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	122.7	166.1	178.1	0	0	0	0	108.5	F165 T504 I505 L507	V163-F165 HydrophobicContact CG1-CD1 4.27Å; V163-T504 CarbonylContact O-C 3.56Å; V163-T504 WeakPolarHBondContact O-CA 3.43Å; V163-I505 HydrophobicContact CB-CB 4.32Å; V163-I505 PolarHBondContact N-O 3.22Å; V163-I505 PolarHBondContact O-N 3.09Å; V163-L507 HydrophobicContact CG2-CD1 4.04Å; V163-L507 HydrophobicContact CG2-CD2 4.31Å; V163-L507 HydrophobicContact CG2-CG 4.33Å
164	C	98.4	Very high	97.6	Very high	14 Å²	14	63 Å²	63	10%	0.095	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	127.9	177.4	-168.7	0	0	0	0	111.1	I156 T158 V503	I156-C164 HydrophobicContact CB-CB 4.21Å; I156-C164 PolarHBondContact N-O 3.48Å; T158-C164 HydrophobicContact CG2-CB 3.56Å; C164-V503 WeakPolarHBondContact CA-O 3.46Å
165	F	98.8	Very high	97.6	Very high	65 Å²	65	56.4 Å²	56.4	29%	0.285	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	161.7	173.6	66.6	-86.6	0	0	0	112	K154 V163 R167 V503 I505	K154-F165 CarbonylContact O-C 3.48Å; K154-F165 WeakPolarHBondContact O-CA 3.44Å; K154-F165 WeakPolarHBondContact O-CB 3.4Å; V163-F165 HydrophobicContact CG1-CD1 4.27Å; F165-R167 HydrophobicContact CD2-CG 4.36Å; F165-R167 HydrophobicContact CE2-CG 3.99Å; F165-V503 HydrophobicContact CD1-CB 4.23Å; F165-V503 HydrophobicContact CD2-CB 4.34Å; F165-V503 HydrophobicContact CE1-CB 3.78Å; F165-V503 HydrophobicContact CE1-CG1 3.68Å; F165-V503 HydrophobicContact CE2-CB 3.9Å; F165-V503 HydrophobicContact CE2-CG1 4.4Å; F165-V503 HydrophobicContact CE2-CG2 3.94Å; F165-V503 HydrophobicContact CG-CB 4.49Å; F165-V503 HydrophobicContact CZ-CB 3.61Å; F165-V503 HydrophobicContact CZ-CG1 3.62Å; F165-V503 HydrophobicContact CZ-CG2 3.98Å; F165-V503 PolarHBondContact N-O 3.14Å; F165-V503 PolarHBondContact O-N 3.42Å; F165-I505 HydrophobicContact CE1-CD1 4.15Å
166	T	98.9	Very high	97.7	Very high	16 Å²	16	50.4 Å²	50.4	10%	0.098	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	148.7	174.7	64.9	0	0	0	0	112.2	G153 K154 I156 V500 K501	G153-T166 WeakPolarHBondContact CA-O 3.46Å; G153-T166 WeakPolarHBondContact CA-OG1 3.25Å; K154-T166 PolarHBondContact N-OG1 3.33Å; K154-T166 PolarHBondContact O-N 3.25Å; I156-T166 HydrophobicContact CD1-CG2 3.8Å; T166-V500 HydrophobicContact CG2-CG1 4.01Å; T166-K501 CarbonylContact C-O 3.56Å; T166-K501 VanDerWaalsContact CA-O 3.27Å; T166-K501 WeakPolarHBondContact CA-O 3.48Å
167	R	98.8	Very high	97.7	Very high	125 Å²	125	47.7 Å²	47.7	47%	0.472	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	132.8	166	-68.3	168.6	53	80.8	4.3	108.4	F165 E169 K501	F165-R167 HydrophobicContact CD2-CG 4.36Å; F165-R167 HydrophobicContact CE2-CG 3.99Å; R167-E169 HydrophobicContact CB-CG 4.15Å; R167-E169 IonicContact CZ-OE1 3.97Å; R167-E169 IonicContact NE-OE1 2.65Å; R167-E169 PolarHBondContact NE-OE1 3.02Å; R167-E169 IonicContact NH2-OE1 2.6Å; R167-E169 PolarHBondContact NH2-OE1 2.82Å; R167-K501 HydrophobicContact CB-CB 4.44Å; R167-K501 PolarHBondContact N-O 3.2Å; R167-K501 PolarHBondContact O-N 3.03Å
168	H	98.8	Very high	97.8	Very high	62 Å²	62	42 Å²	42	29%	0.287	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	98.5	170.8	-70.1	-165.6	0	0	0	107.6	I151 Q152 T498	I151-H168 HydrophobicContact CG2-CB 3.9Å; Q152-H168 PolarHBondContact O-CE1 2.76Å; Q152-H168 VanDerWaalsContact O-CE1 3.24Å; Q152-H168 PolarHBondContact O-ND1 3.12Å; Q152-H168 VanDerWaalsContact O-ND1 3.15Å; H168-T498 HydrophobicContact CB-CG2 4.21Å
169	E	98.9	Very high	97.9	Very high	35 Å²	35	39.6 Å²	39.6	16%	0.164	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	152.8	-177.6	-60.1	-169.2	165	0	0	110.3	R167 T498 E499 K501	R167-E169 HydrophobicContact CB-CG 4.15Å; R167-E169 IonicContact CZ-OE1 3.97Å; R167-E169 IonicContact NE-OE1 2.65Å; R167-E169 PolarHBondContact NE-OE1 3.02Å; R167-E169 IonicContact NH2-OE1 2.6Å; R167-E169 PolarHBondContact NH2-OE1 2.82Å; E169-T498 CarbonylContact O-C 3.56Å; E169-T498 WeakPolarHBondContact O-CA 3.17Å; E169-E499 PolarHBondContact N-O 3.16Å; E169-E499 PolarHBondContact O-N 3.34Å; E169-K501 IonicContact OE1-NZ 2.83Å; E169-K501 PolarHBondContact OE1-NZ 2.88Å; E169-K501 WeakPolarHBondContact OE2-CE 3.12Å; E169-K501 IonicContact OE2-NZ 3.62Å; E169-K501 PolarHBondContact OE2-NZ 3.32Å
170	P	98.9	Very high	98.2	Very high	27 Å²	27	35.6 Å²	35.6	18%	0.175	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.5	143.9	168.2	21.5	-30.2	0	0	0	110.7	F82 C197 G198	F82-P170 HydrophobicContact CE2-CB 3.74Å; F82-P170 HydrophobicContact CE2-CG 3.61Å; F82-P170 HydrophobicContact CZ-CB 4.04Å; F82-P170 HydrophobicContact CZ-CG 3.81Å; P170-C197 WeakPolarHBondContact CB-O 3.18Å; P170-G198 WeakPolarHBondContact CB-O 3Å
171	I	98.9	Very high	98.5	Very high	19 Å²	19	28.8 Å²	28.8	10%	0.097	14%	0.143	C	C	.	.			trans	-65.5	-42	179.7	-60.4	174.5	0	0	0	111.4	N199 N251 K252 R276 E496 E499	I171-N199 PolarHBondContact N-OD1 2.77Å; I171-N251 HydrophobicContact CG2-CB 3.72Å; I171-K252 HydrophobicContact CD1-CB 4.33Å; I171-K252 HydrophobicContact CD1-CD 3.56Å; I171-K252 HydrophobicContact CG2-CB 4.06Å; I171-R276 VanDerWaalsContact CD1-NH1 3.26Å; I171-E496 WeakPolarHBondContact CD1-O 3.47Å; I171-E499 HydrophobicContact CG1-CG 4.18Å
172	G	98.8	Very high	98.7	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.13	C	C	.	.	S	Bend	trans	133.6	-132	-177.4	0	0	0	0	0	113.3	F82 C174 N199 T200	F82-G172 VanDerWaalsContact CE1-CA 3.5Å; F82-G172 VanDerWaalsContact CZ-CA 3.48Å; G172-C174 PolarHBondContact O-N 2.92Å; G172-N199 PolarHBondContact N-OD1 2.69Å; G172-N199 WeakPolarHBondContact O-CB 3.29Å; G172-N199 PolarHBondContact O-OD1 2.91Å; G172-T200 PolarHBondContact O-N 3.45Å
173	V	98.9	Very high	98.8	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.006	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	117.2	177.8	-176.7	0	0	0	0	109.6	V75 A78 Q79 T200 V202 V250 N251 K252	V75-V173 HydrophobicContact CG1-CG1 4.35Å; A78-V173 HydrophobicContact CB-CB 4.49Å; A78-V173 HydrophobicContact CB-CG1 3.8Å; A78-V173 HydrophobicContact CB-CG2 3.93Å; Q79-V173 HydrophobicContact CB-CG2 4.48Å; Q79-V173 HydrophobicContact CG-CG2 3.66Å; V173-T200 WeakPolarHBondContact CA-O 3.39Å; V173-V202 HydrophobicContact CG1-CG2 4.24Å; V173-V250 HydrophobicContact CG1-CG2 4.24Å; V173-N251 PolarHBondContact N-OD1 3.48Å; V173-N251 PolarHBondContact O-N 3.08Å; V173-K252 PolarHBondContact O-N 2.8Å
174	C	99	Very high	98.8	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.007	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	118.5	-179.5	-63.8	0	0	0	0	110.6	G172 T200 M201 V202 K252 Y497	G172-C174 PolarHBondContact O-N 2.92Å; C174-T200 PolarHBondContact N-O 3.02Å; C174-M201 HydrophobicContact CB-CE 4.28Å; C174-M201 HydrophobicContact CB-CG 4.38Å; C174-M201 VanDerWaalsContact O-CA 3.26Å; C174-M201 WeakPolarHBondContact O-CA 3.2Å; C174-V202 PolarHBondContact O-N 2.95Å; C174-K252 CarbonylContact C-O 3.48Å; C174-K252 WeakPolarHBondContact CA-O 3.25Å; C174-Y497 HydrophobicContact CB-CE1 4.5Å
175	G	98.9	Very high	98.9	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.01	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	136.4	168.5	0	0	0	0	0	111.1	V202 K252 I253 A254	G175-V202 CarbonylContact C-O 3.51Å; G175-V202 WeakPolarHBondContact CA-O 3.36Å; G175-K252 PolarHBondContact N-O 2.97Å; G175-I253 CarbonylContact O-C 3.49Å; G175-I253 WeakPolarHBondContact O-CA 3.39Å; G175-A254 PolarHBondContact O-N 3.02Å
176	A	98.9	Very high	98.9	Very high	1 Å²	1	19.7 Å²	19.7	1%	0.008	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	127.6	172.6	0	0	0	0	0	110.6	K190 M201 V202 L203 K204 A254	A176-K190 HydrophobicContact CB-CB 4.07Å; A176-K190 HydrophobicContact CB-CD 3.7Å; A176-K190 HydrophobicContact CB-CG 4.47Å; A176-M201 HydrophobicContact CB-CE 3.7Å; A176-V202 PolarHBondContact N-O 3.32Å; A176-L203 HydrophobicContact CB-CD2 4.27Å; A176-L203 HydrophobicContact CB-CG 4.12Å; A176-L203 CarbonylContact O-C 3.54Å; A176-L203 WeakPolarHBondContact O-CA 3.08Å; A176-K204 PolarHBondContact O-N 3.39Å; A176-A254 WeakPolarHBondContact CA-O 3.39Å
177	I	98.9	Very high	98.9	Very high	12 Å²	12	19 Å²	19	6%	0.062	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	120.6	176.2	-59.5	173.9	0	0	0	107.8	K204 G241 I253 A254 F255 T256	I177-K204 WeakPolarHBondContact CA-O 3.32Å; I177-K204 HydrophobicContact CG1-CB 4.31Å; I177-K204 HydrophobicContact CG2-CD 4.06Å; I177-G241 WeakPolarHBondContact CD1-O 3.07Å; I177-I253 HydrophobicContact CD1-CD1 3.84Å; I177-I253 HydrophobicContact CG1-CD1 4.45Å; I177-A254 PolarHBondContact N-O 3.06Å; I177-F255 HydrophobicContact CB-CD2 3.86Å; I177-F255 HydrophobicContact CD1-CD2 4.5Å; I177-F255 HydrophobicContact CG2-CD2 3.72Å; I177-F255 HydrophobicContact CG2-CE2 3.96Å; I177-T256 PolarHBondContact O-N 2.81Å; I177-T256 VanDerWaalsContact O-N 3.07Å
178	T	98.8	Very high	98.9	Very high	8 Å²	8	13.1 Å²	13.1	5%	0.049	7%	0.066	C	C	.	.			trans	-114.6	151.3	-173.7	60.8	0	0	0	0	112.3	M186 L187 K190 K204 A206	T178-M186 HydrophobicContact CG2-CB 4.23Å; T178-L187 HydrophobicContact CG2-CB 4.18Å; T178-K190 HydrophobicContact CG2-CD 3.95Å; T178-K204 PolarHBondContact N-O 2.87Å; T178-A206 PolarHBondContact O-N 3.42Å
179	P	98.8	Very high	98.9	Very high	14 Å²	14	10.7 Å²	10.7	9%	0.091	5%	0.054	C	C	.	.			trans	-84.7	176.5	176.6	39	-39.4	0	0	0	110.7	N181 M186 T256	P179-N181 WeakPolarHBondContact CB-OD1 3.3Å; P179-N181 WeakPolarHBondContact CG-OD1 3.27Å; P179-M186 HydrophobicContact CG-CB 4.39Å; P179-M186 HydrophobicContact CG-CG 3.94Å; P179-T256 WeakPolarHBondContact CD-O 3.36Å; P179-T256 HydrophobicContact CG-CG2 3.81Å
180	W	98.8	Very high	98.9	Very high	38 Å²	38	9 Å²	9	14%	0.144	5%	0.047	C	C	.	.	S	Bend	trans	-91.5	-9.8	-176.4	48.6	-105.5	0	0	0	114.9	P183 A206 Q208 T209 Q312 I357 Q361 F413	W180-P183 VanDerWaalsContact O-CD 3.3Å; W180-P183 WeakPolarHBondContact O-CD 3.39Å; W180-P183 WeakPolarHBondContact O-CG 3.39Å; W180-A206 HydrophobicContact CB-CB 3.77Å; W180-Q208 HydrophobicContact CB-CB 4.01Å; W180-Q208 HydrophobicContact CG-CB 4.5Å; W180-T209 VanDerWaalsContact CA-OG1 3.25Å; W180-T209 WeakPolarHBondContact CA-OG1 3.26Å; W180-T209 HydrophobicContact CB-CG2 3.86Å; W180-T209 WeakPolarHBondContact CB-OG1 3.18Å; W180-Q312 HydrophobicContact CH2-CB 3.93Å; W180-Q312 HydrophobicContact CH2-CG 3.99Å; W180-Q312 HydrophobicContact CZ3-CB 3.72Å; W180-Q312 VanDerWaalsContact CZ3-CD 3.42Å; W180-Q312 HydrophobicContact CZ3-CG 3.96Å; W180-I357 HydrophobicContact CB-CD1 4.45Å; W180-I357 HydrophobicContact CB-CG1 4.21Å; W180-I357 HydrophobicContact CD2-CB 4.05Å; W180-I357 HydrophobicContact CD2-CG1 3.79Å; W180-I357 HydrophobicContact CD2-CG2 3.77Å; W180-I357 HydrophobicContact CE3-CB 3.53Å; W180-I357 HydrophobicContact CE3-CD1 4.15Å; W180-I357 HydrophobicContact CE3-CG1 3.56Å; W180-I357 HydrophobicContact CE3-CG2 3.61Å; W180-I357 HydrophobicContact CG-CG1 4.05Å; W180-I357 HydrophobicContact CH2-CB 4.11Å; W180-I357 HydrophobicContact CH2-CG2 3.44Å; W180-I357 VanDerWaalsContact CH2-CG2 3.44Å; W180-I357 HydrophobicContact CZ2-CG2 3.62Å; W180-I357 HydrophobicContact CZ3-CB 3.58Å; W180-I357 HydrophobicContact CZ3-CG1 4.17Å; W180-I357 HydrophobicContact CZ3-CG2 3.46Å; W180-I357 VanDerWaalsContact CZ3-CG2 3.46Å; W180-Q361 HydrophobicContact CH2-CG 4.18Å; W180-Q361 HydrophobicContact CZ2-CG 4.38Å; W180-F413 AromaticContact CH2-CD1 3.51Å; W180-F413 HydrophobicContact CH2-CD1 3.51Å; W180-F413 AromaticContact CH2-CE1 3.47Å; W180-F413 HydrophobicContact CH2-CE1 3.47Å; W180-F413 VanDerWaalsContact CH2-CE1 3.47Å; W180-F413 AromaticContact CZ2-CD1 3.91Å; W180-F413 HydrophobicContact CZ2-CD1 3.91Å; W180-F413 AromaticContact CZ2-CE1 3.82Å; W180-F413 HydrophobicContact CZ2-CE1 3.82Å; W180-F413 HydrophobicContact CZ3-CD1 4.46Å; W180-F413 HydrophobicContact CZ3-CE1 4.12Å
181	N	98.7	Very high	98.9	Very high	9 Å²	9	7.8 Å²	7.8	5%	0.048	4%	0.038	C	C	.	.	S	Bend	trans	-81.7	-27.7	-169.5	64	-39.7	0	0	0	113.9	P179 N309 Q312 F413	P179-N181 WeakPolarHBondContact CB-OD1 3.3Å; P179-N181 WeakPolarHBondContact CG-OD1 3.27Å; N181-N309 PolarHBondContact O-ND2 3.33Å; N181-Q312 HydrophobicContact CB-CB 4.35Å; N181-Q312 VanDerWaalsContact CB-O 3.3Å; N181-Q312 WeakPolarHBondContact CB-O 3.33Å; N181-Q312 PolarHBondContact ND2-O 3.23Å; N181-Q312 VanDerWaalsContact ND2-O 3.17Å; N181-F413 HydrophobicContact CB-CE1 4.05Å; N181-F413 HydrophobicContact CB-CZ 4.31Å; N181-F413 WeakPolarHBondContact ND2-CZ 2.93Å
182	F	98.8	Very high	98.9	Very high	13 Å²	13	6.9 Å²	6.9	6%	0.057	3%	0.034	C	C	.	.	S	Bend	trans	-139.4	70.1	167.7	-62.2	-105.2	0	0	0	109	L184 L185 M186 F308 N309 C313	F182-L184 PolarHBondContact O-N 3.25Å; F182-L185 HydrophobicContact CB-CB 3.99Å; F182-L185 HydrophobicContact CB-CD2 4.36Å; F182-L185 HydrophobicContact CD1-CD2 3.89Å; F182-L185 HydrophobicContact CG-CD2 4.41Å; F182-L185 PolarHBondContact O-N 2.71Å; F182-M186 HydrophobicContact CB-CE 4.45Å; F182-M186 HydrophobicContact CB-CG 4.04Å; F182-M186 WeakPolarHBondContact O-CB 3.35Å; F182-M186 VanDerWaalsContact O-CG 3.3Å; F182-M186 WeakPolarHBondContact O-CG 3.33Å; F182-M186 PolarHBondContact O-N 2.66Å; F182-F308 AromaticContact CE1-CE1 3.64Å; F182-F308 HydrophobicContact CE1-CE1 3.64Å; F182-F308 AromaticContact CE1-CZ 3.88Å; F182-F308 HydrophobicContact CE1-CZ 3.88Å; F182-F308 HydrophobicContact CZ-CD1 4.24Å; F182-F308 AromaticContact CZ-CE1 3.48Å; F182-F308 HydrophobicContact CZ-CE1 3.48Å; F182-F308 VanDerWaalsContact CZ-CE1 3.48Å; F182-F308 HydrophobicContact CZ-CZ 4.13Å; F182-N309 HydrophobicContact CE2-CB 4.41Å; F182-N309 VanDerWaalsContact CE2-ND2 3.32Å; F182-N309 WeakPolarHBondContact CE2-ND2 3.38Å; F182-N309 HydrophobicContact CZ-CB 3.89Å; F182-N309 WeakPolarHBondContact CZ-ND2 3.47Å; F182-C313 HydrophobicContact CE2-CB 4.1Å; F182-C313 VanDerWaalsContact CE2-SG 3.58Å; F182-C313 HydrophobicContact CZ-CB 4.34Å
183	P	98.9	Very high	98.9	Very high	4 Å²	4	6.9 Å²	6.9	3%	0.026	3%	0.034	C	C	.	.	H	α-helix	trans	-52.4	-55.7	-166.7	-25.6	31	0	0	0	114	E118 T122 W180 L187 T209	E118-P183 WeakPolarHBondContact OE1-CD 3.41Å; T122-P183 HydrophobicContact CG2-CG 3.48Å; T122-P183 VanDerWaalsContact CG2-CG 3.48Å; W180-P183 VanDerWaalsContact O-CD 3.3Å; W180-P183 WeakPolarHBondContact O-CD 3.39Å; W180-P183 WeakPolarHBondContact O-CG 3.39Å; P183-L187 WeakPolarHBondContact O-CB 3.49Å; P183-L187 PolarHBondContact O-N 2.85Å; P183-T209 VanDerWaalsContact CG-CB 3.44Å; P183-T209 HydrophobicContact CG-CG2 3.78Å; P183-T209 WeakPolarHBondContact CG-OG1 3.42Å
184	L	98.9	Very high	98.9	Very high	1 Å²	1	6.8 Å²	6.8	1%	0.005	3%	0.033	C	C	.	.	H	α-helix	trans	-74.5	-40	-176.3	-171.5	61.5	0	0	0	111.7	L114 E118 L134 F182 L187 V188 L216	L114-L184 HydrophobicContact CB-CD2 4.36Å; L114-L184 HydrophobicContact CD1-CD2 4.17Å; L114-L184 HydrophobicContact CD2-CD2 4.13Å; L114-L184 HydrophobicContact CG-CD2 4.47Å; E118-L184 WeakPolarHBondContact OE1-CB 3.41Å; E118-L184 PolarHBondContact OE1-N 2.85Å; L134-L184 HydrophobicContact CD1-CD2 3.81Å; F182-L184 PolarHBondContact O-N 3.25Å; L184-L187 PolarHBondContact O-N 2.78Å; L184-V188 HydrophobicContact CD1-CG2 4.44Å; L184-V188 HydrophobicContact CG-CG2 4.47Å; L184-V188 WeakPolarHBondContact O-CB 3.43Å; L184-V188 WeakPolarHBondContact O-CG2 3.44Å; L184-V188 PolarHBondContact O-N 3.44Å; L184-L216 HydrophobicContact CD1-CB 4.1Å; L184-L216 HydrophobicContact CD1-CD2 3.98Å; L184-L216 HydrophobicContact CD1-CG 4.44Å
185	L	98.9	Very high	98.9	Very high	15 Å²	15	6.8 Å²	6.8	8%	0.079	3%	0.033	C	C	.	.	H	α-helix	trans	-63	-47.2	-179.3	-175.2	65.3	0	0	0	111.7	C137 F182 L187 V188 W189	C137-L185 VanDerWaalsContact SG-CA 3.5Å; F182-L185 HydrophobicContact CB-CB 3.99Å; F182-L185 HydrophobicContact CB-CD2 4.36Å; F182-L185 HydrophobicContact CD1-CD2 3.89Å; F182-L185 HydrophobicContact CG-CD2 4.41Å; F182-L185 PolarHBondContact O-N 2.71Å; L185-L187 VanDerWaalsContact C-N 3.29Å; L185-L187 PolarHBondContact O-N 2.7Å; L185-V188 PolarHBondContact O-N 2.98Å; L185-W189 HydrophobicContact CD2-CZ2 4.46Å; L185-W189 PolarHBondContact O-N 3.36Å
186	M	98.8	Very high	98.9	Very high	12 Å²	12	6.7 Å²	6.7	6%	0.059	3%	0.033	C	C	.	.	H	α-helix	trans	-67.1	-32.4	178.7	-67	-62.2	99.3	0	0	112.3	T178 P179 F182 W189 T256	T178-M186 HydrophobicContact CG2-CB 4.23Å; P179-M186 HydrophobicContact CG-CB 4.39Å; P179-M186 HydrophobicContact CG-CG 3.94Å; F182-M186 HydrophobicContact CB-CE 4.45Å; F182-M186 HydrophobicContact CB-CG 4.04Å; F182-M186 WeakPolarHBondContact O-CB 3.35Å; F182-M186 VanDerWaalsContact O-CG 3.3Å; F182-M186 WeakPolarHBondContact O-CG 3.33Å; F182-M186 PolarHBondContact O-N 2.66Å; M186-W189 HydrophobicContact CE-CD2 3.68Å; M186-W189 HydrophobicContact CE-CE3 3.61Å; M186-W189 HydrophobicContact CE-CG 4.27Å; M186-W189 HydrophobicContact CE-CH2 4.11Å; M186-W189 HydrophobicContact CE-CZ2 4.15Å; M186-W189 HydrophobicContact CE-CZ3 3.84Å; M186-W189 HydrophobicContact SD-CE3 4.31Å; M186-T256 HydrophobicContact SD-CG2 4.05Å
187	L	98.9	Very high	98.9	Very high	1 Å²	1	7 Å²	7	1%	0.005	3%	0.034	C	C	.	.	H	α-helix	trans	-65.2	-48.4	172.6	-171.6	158.5	0	0	0	110.7	T178 P183 L184 L185 W189 K190 L191 L203 A213 L216	T178-L187 HydrophobicContact CG2-CB 4.18Å; P183-L187 WeakPolarHBondContact O-CB 3.49Å; P183-L187 PolarHBondContact O-N 2.85Å; L184-L187 PolarHBondContact O-N 2.78Å; L185-L187 VanDerWaalsContact C-N 3.29Å; L185-L187 PolarHBondContact O-N 2.7Å; L187-W189 VanDerWaalsContact C-N 3.33Å; L187-W189 PolarHBondContact O-N 3.28Å; L187-K190 PolarHBondContact O-N 3.44Å; L187-K190 VanDerWaalsContact O-N 3.12Å; L187-L191 HydrophobicContact CD2-CB 4.13Å; L187-L191 HydrophobicContact CD2-CD1 3.84Å; L187-L191 WeakPolarHBondContact O-CB 3.19Å; L187-L191 PolarHBondContact O-N 2.9Å; L187-L203 HydrophobicContact CD1-CD2 4.08Å; L187-L203 HydrophobicContact CD2-CD2 3.8Å; L187-L203 HydrophobicContact CG-CD2 3.64Å; L187-A213 HydrophobicContact CD1-CB 3.37Å; L187-L216 HydrophobicContact CD2-CD2 3.36Å
188	V	98.9	Very high	98.9	Very high	1 Å²	1	6.6 Å²	6.6	1%	0.006	3%	0.033	C	C	.	.	H	α-helix	trans	-63	-37.9	179.1	168.3	0	0	0	0	112	C137 T140 L141 L184 L185 K190 L191 A192 L216	C137-V188 HydrophobicContact CB-CB 4.49Å; C137-V188 HydrophobicContact CB-CG1 4.46Å; C137-V188 HydrophobicContact CB-CG2 4.13Å; T140-V188 HydrophobicContact CG2-CG1 3.98Å; L141-V188 HydrophobicContact CD2-CG1 4.03Å; L141-V188 HydrophobicContact CG-CG1 3.75Å; L184-V188 HydrophobicContact CD1-CG2 4.44Å; L184-V188 HydrophobicContact CG-CG2 4.47Å; L184-V188 WeakPolarHBondContact O-CB 3.43Å; L184-V188 WeakPolarHBondContact O-CG2 3.44Å; L184-V188 PolarHBondContact O-N 3.44Å; L185-V188 PolarHBondContact O-N 2.98Å; V188-K190 PolarHBondContact O-N 3.43Å; V188-L191 PolarHBondContact O-N 3.47Å; V188-A192 HydrophobicContact CG1-CB 4.41Å; V188-A192 VanDerWaalsContact O-CB 3.24Å; V188-A192 WeakPolarHBondContact O-CB 3.46Å; V188-A192 PolarHBondContact O-N 3.05Å; V188-L216 HydrophobicContact CG2-CD2 4.5Å
189	W	98.9	Very high	98.9	Very high	11 Å²	11	6.2 Å²	6.2	4%	0.042	3%	0.031	C	C	.	.	H	α-helix	trans	-59.5	-26.5	175.7	-78.9	23.5	0	0	0	113.4	L185 M186 L187 P193 L471 F477 E488 L489	L185-W189 HydrophobicContact CD2-CZ2 4.46Å; L185-W189 PolarHBondContact O-N 3.36Å; M186-W189 HydrophobicContact CE-CD2 3.68Å; M186-W189 HydrophobicContact CE-CE3 3.61Å; M186-W189 HydrophobicContact CE-CG 4.27Å; M186-W189 HydrophobicContact CE-CH2 4.11Å; M186-W189 HydrophobicContact CE-CZ2 4.15Å; M186-W189 HydrophobicContact CE-CZ3 3.84Å; M186-W189 HydrophobicContact SD-CE3 4.31Å; L187-W189 VanDerWaalsContact C-N 3.33Å; L187-W189 PolarHBondContact O-N 3.28Å; W189-P193 WeakPolarHBondContact O-CD 3.24Å; W189-P193 WeakPolarHBondContact O-CG 3.36Å; W189-L471 HydrophobicContact CH2-CD1 4.17Å; W189-L471 HydrophobicContact CZ2-CD1 4.46Å; W189-F477 HydrophobicContact CH2-CD1 4.24Å; W189-F477 HydrophobicContact CH2-CG 4.35Å; W189-F477 HydrophobicContact CZ3-CB 4.37Å; W189-F477 AromaticContact CZ3-CD1 3.67Å; W189-F477 HydrophobicContact CZ3-CD1 3.67Å; W189-F477 HydrophobicContact CZ3-CE1 4.24Å; W189-F477 HydrophobicContact CZ3-CG 4.15Å; W189-E488 HydrophobicContact CE3-CB 4.36Å; W189-L489 HydrophobicContact CD2-CD1 4.16Å; W189-L489 HydrophobicContact CD2-CD2 3.97Å; W189-L489 HydrophobicContact CD2-CG 3.98Å; W189-L489 HydrophobicContact CE3-CD1 4.38Å; W189-L489 HydrophobicContact CE3-CG 4.21Å; W189-L489 HydrophobicContact CG-CD2 3.97Å; W189-L489 HydrophobicContact CG-CG 4.47Å; W189-L489 HydrophobicContact CH2-CD1 3.73Å; W189-L489 HydrophobicContact CH2-CG 4.42Å; W189-L489 HydrophobicContact CZ2-CD1 3.47Å; W189-L489 VanDerWaalsContact CZ2-CD1 3.47Å; W189-L489 HydrophobicContact CZ2-CG 4.22Å; W189-L489 HydrophobicContact CZ3-CD1 4.19Å; W189-L489 HydrophobicContact CZ3-CG 4.42Å
190	K	98.9	Very high	98.9	Very high	0 Å²	0	5.5 Å²	5.5	0%	0	3%	0.027	C	C	.	.	H	α-helix	trans	-89.8	-45.1	174.9	-63.4	179.5	-175.9	-1.8	0	111.7	A176 T178 L187 V188 A194 M201 A254 T256 E488	A176-K190 HydrophobicContact CB-CB 4.07Å; A176-K190 HydrophobicContact CB-CD 3.7Å; A176-K190 HydrophobicContact CB-CG 4.47Å; T178-K190 HydrophobicContact CG2-CD 3.95Å; L187-K190 PolarHBondContact O-N 3.44Å; L187-K190 VanDerWaalsContact O-N 3.12Å; V188-K190 PolarHBondContact O-N 3.43Å; K190-A194 WeakPolarHBondContact O-CB 3.3Å; K190-A194 PolarHBondContact O-N 3.12Å; K190-M201 HydrophobicContact CB-CE 4.34Å; K190-A254 HydrophobicContact CD-CB 3.97Å; K190-A254 HydrophobicContact CG-CB 4.25Å; K190-T256 WeakPolarHBondContact CE-OG1 3.46Å; K190-T256 PolarHBondContact NZ-OG1 3.19Å; K190-E488 WeakPolarHBondContact CG-OE1 3.5Å; K190-E488 VanDerWaalsContact NZ-CD 3.3Å; K190-E488 IonicContact NZ-OE1 3.94Å; K190-E488 PolarHBondContact NZ-OE1 3.49Å; K190-E488 IonicContact NZ-OE2 2.86Å; K190-E488 PolarHBondContact NZ-OE2 2.97Å; K190-E488 VanDerWaalsContact NZ-OE2 3.15Å
191	L	98.9	Very high	98.9	Very high	1 Å²	1	3.7 Å²	3.7	1%	0.005	2%	0.02	C	C	.	.	H	α-helix	trans	-65.6	-46.9	-174.4	-177.8	150	0	0	0	112.4	L100 L103 L141 L187 V188 A194 L195 M201 L203 L216 I220 V230	L100-L191 HydrophobicContact CD2-CD2 4.35Å; L103-L191 HydrophobicContact CD2-CD2 4.1Å; L141-L191 HydrophobicContact CD2-CD2 4.11Å; L187-L191 HydrophobicContact CD2-CB 4.13Å; L187-L191 HydrophobicContact CD2-CD1 3.84Å; L187-L191 WeakPolarHBondContact O-CB 3.19Å; L187-L191 PolarHBondContact O-N 2.9Å; V188-L191 PolarHBondContact O-N 3.47Å; L191-A194 PolarHBondContact O-N 2.91Å; L191-L195 HydrophobicContact CD1-CD1 4.38Å; L191-L195 HydrophobicContact CD2-CD1 3.46Å; L191-L195 VanDerWaalsContact CD2-CD1 3.46Å; L191-L195 HydrophobicContact CD2-CG 4.27Å; L191-L195 HydrophobicContact CG-CD1 3.68Å; L191-L195 HydrophobicContact CG-CG 4.21Å; L191-L195 WeakPolarHBondContact O-CB 3.48Å; L191-L195 WeakPolarHBondContact O-CG 3.48Å; L191-L195 PolarHBondContact O-N 2.97Å; L191-M201 HydrophobicContact CB-SD 4.3Å; L191-M201 HydrophobicContact CG-SD 4.49Å; L191-L203 HydrophobicContact CD1-CD2 4.41Å; L191-L216 HydrophobicContact CD1-CD2 4.2Å; L191-I220 HydrophobicContact CD1-CD1 3.76Å; L191-V230 HydrophobicContact CD1-CG1 4.31Å; L191-V230 HydrophobicContact CD1-CG2 4.42Å
192	A	98.9	Very high	98.9	Very high	0 Å²	0	3.3 Å²	3.3	0%	0	2%	0.017	C	C	.	.	H	α-helix	trans	-61.1	-54.5	-173.7	0	0	0	0	0	113.1	T140 L141 F144 V188 C196	T140-A192 HydrophobicContact CG2-CB 4.11Å; L141-A192 HydrophobicContact CD2-CB 4.12Å; F144-A192 HydrophobicContact CB-CB 3.9Å; F144-A192 HydrophobicContact CD2-CB 3.67Å; F144-A192 HydrophobicContact CG-CB 4.11Å; V188-A192 HydrophobicContact CG1-CB 4.41Å; V188-A192 VanDerWaalsContact O-CB 3.24Å; V188-A192 WeakPolarHBondContact O-CB 3.46Å; V188-A192 PolarHBondContact O-N 3.05Å; A192-C196 WeakPolarHBondContact O-CB 3.45Å; A192-C196 PolarHBondContact O-N 3.02Å
193	P	98.9	Very high	98.9	Very high	0 Å²	0	2.8 Å²	2.8	0%	0	2%	0.015	C	C	.	.	H	α-helix	trans	-67	-36.9	177.4	25.7	-34.2	0	0	0	112.9	F144 W189 C196 C197 A493 Y497	F144-P193 HydrophobicContact CD1-CB 3.88Å; F144-P193 HydrophobicContact CD2-CB 4.43Å; F144-P193 HydrophobicContact CE1-CB 3.69Å; F144-P193 HydrophobicContact CE2-CB 4.25Å; F144-P193 HydrophobicContact CE2-CG 4.27Å; F144-P193 HydrophobicContact CG-CB 4.26Å; F144-P193 HydrophobicContact CZ-CB 3.88Å; F144-P193 HydrophobicContact CZ-CG 4.25Å; W189-P193 WeakPolarHBondContact O-CD 3.24Å; W189-P193 WeakPolarHBondContact O-CG 3.36Å; P193-C196 PolarHBondContact O-N 2.97Å; P193-C197 PolarHBondContact O-N 2.89Å; P193-C197 VanDerWaalsContact O-N 3.1Å; P193-C197 PolarHBondContact O-SG 2.89Å; P193-C197 VanDerWaalsContact O-SG 3.33Å; P193-A493 HydrophobicContact CB-CB 4.19Å; P193-Y497 HydrophobicContact CB-CD2 3.76Å; P193-Y497 HydrophobicContact CB-CE2 3.96Å; P193-Y497 HydrophobicContact CG-CD2 3.99Å; P193-Y497 HydrophobicContact CG-CE2 3.63Å
194	A	98.9	Very high	98.9	Very high	0 Å²	0	2.8 Å²	2.8	0%	0	2%	0.015	C	C	.	.	H	α-helix	trans	-62.1	-47.7	179.6	0	0	0	0	0	112.3	K190 L191 C197 G198 N199 M201 Y497	K190-A194 WeakPolarHBondContact O-CB 3.3Å; K190-A194 PolarHBondContact O-N 3.12Å; L191-A194 PolarHBondContact O-N 2.91Å; A194-C197 PolarHBondContact O-N 3.35Å; A194-G198 PolarHBondContact O-N 3.41Å; A194-N199 HydrophobicContact CB-CB 4.43Å; A194-N199 VanDerWaalsContact O-CB 3.31Å; A194-N199 WeakPolarHBondContact O-CB 3.34Å; A194-N199 PolarHBondContact O-N 3.19Å; A194-N199 PolarHBondContact O-ND2 2.84Å; A194-M201 HydrophobicContact CB-CE 3.87Å; A194-M201 HydrophobicContact CB-CG 4.13Å; A194-M201 HydrophobicContact CB-SD 3.46Å; A194-M201 WeakPolarHBondContact CB-SD 3.34Å; A194-Y497 HydrophobicContact CB-CD1 3.63Å; A194-Y497 HydrophobicContact CB-CE1 3.63Å; A194-Y497 HydrophobicContact CB-CG 4.17Å
195	L	98.9	Very high	98.9	Very high	0 Å²	0	2.9 Å²	2.9	0%	0	2%	0.015	C	C	.	.	H	α-helix	trans	-72.1	-36.6	179.6	-66.5	-175	0	0	0	112.4	W88 L100 L191 C197 G198 M201 F225 V229 V230	W88-L195 HydrophobicContact CZ2-CB 4.41Å; W88-L195 HydrophobicContact CZ2-CD2 4.12Å; W88-L195 WeakPolarHBondContact CZ2-O 3.24Å; L100-L195 HydrophobicContact CD2-CB 4.16Å; L100-L195 HydrophobicContact CD2-CD1 4.28Å; L191-L195 HydrophobicContact CD1-CD1 4.38Å; L191-L195 HydrophobicContact CD2-CD1 3.46Å; L191-L195 VanDerWaalsContact CD2-CD1 3.46Å; L191-L195 HydrophobicContact CD2-CG 4.27Å; L191-L195 HydrophobicContact CG-CD1 3.68Å; L191-L195 HydrophobicContact CG-CG 4.21Å; L191-L195 WeakPolarHBondContact O-CB 3.48Å; L191-L195 WeakPolarHBondContact O-CG 3.48Å; L191-L195 PolarHBondContact O-N 2.97Å; L195-C197 VanDerWaalsContact C-N 3.27Å; L195-C197 PolarHBondContact O-N 3.01Å; L195-G198 PolarHBondContact O-N 3.27Å; L195-M201 HydrophobicContact CD2-CG 4.46Å; L195-F225 HydrophobicContact CD1-CD1 4.29Å; L195-F225 HydrophobicContact CD1-CE1 3.68Å; L195-F225 HydrophobicContact CD1-CZ 4.06Å; L195-V229 HydrophobicContact CD2-CG1 3.54Å; L195-V230 HydrophobicContact CD1-CG2 3.81Å; L195-V230 HydrophobicContact CD2-CG2 3.99Å; L195-V230 HydrophobicContact CG-CG2 4.44Å
196	C	98.7	Very high	98.9	Very high	0 Å²	0	2.3 Å²	2.3	0%	0	1%	0.013	C	C	.	.	H	α-helix	trans	-52.8	-48	171.8	161.3	0	0	0	0	111	R96 L100 F144 W147 A148 A192 P193 G198	R96-C196 PolarHBondContact NE-O 3.43Å; R96-C196 PolarHBondContact NH2-O 3.49Å; L100-C196 HydrophobicContact CD1-CB 3.9Å; F144-C196 HydrophobicContact CB-CB 4.12Å; F144-C196 WeakPolarHBondContact O-CB 3.23Å; F144-C196 PolarHBondContact O-SG 3.4Å; W147-C196 VanDerWaalsContact C-SG 3.55Å; W147-C196 VanDerWaalsContact CB-SG 3.55Å; A148-C196 WeakPolarHBondContact CA-SG 2.92Å; A148-C196 PolarHBondContact N-SG 3.09Å; A148-C196 VanDerWaalsContact N-SG 3.39Å; A192-C196 WeakPolarHBondContact O-CB 3.45Å; A192-C196 PolarHBondContact O-N 3.02Å; P193-C196 PolarHBondContact O-N 2.97Å; C196-G198 PolarHBondContact O-N 3.23Å
197	C	98.9	Very high	98.9	Very high	6 Å²	6	4 Å²	4	4%	0.041	2%	0.021	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-10.9	177	-65.2	0	0	0	0	114.4	I151 P170 P193 A194 L195 N199 Y497 T498	I151-C197 HydrophobicContact CD1-CB 4.15Å; I151-C197 VanDerWaalsContact CD1-SG 3.54Å; P170-C197 WeakPolarHBondContact CB-O 3.18Å; P193-C197 PolarHBondContact O-N 2.89Å; P193-C197 VanDerWaalsContact O-N 3.1Å; P193-C197 PolarHBondContact O-SG 2.89Å; P193-C197 VanDerWaalsContact O-SG 3.33Å; A194-C197 PolarHBondContact O-N 3.35Å; L195-C197 VanDerWaalsContact C-N 3.27Å; L195-C197 PolarHBondContact O-N 3.01Å; C197-N199 WeakPolarHBondContact CB-ND2 3.45Å; C197-Y497 WeakPolarHBondContact CB-O 3.47Å; C197-T498 HydrophobicContact CB-CG2 4.17Å
198	G	98.9	Very high	98.9	Very high	4 Å²	4	6 Å²	6	4%	0.041	3%	0.03	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.4	22.4	178.8	0	0	0	0	0	114.8	W88 P170 A194 L195 C196	W88-G198 PolarHBondContact NE1-O 3.25Å; W88-G198 VanDerWaalsContact NE1-O 3.09Å; P170-G198 WeakPolarHBondContact CB-O 3Å; A194-G198 PolarHBondContact O-N 3.41Å; L195-G198 PolarHBondContact O-N 3.27Å; C196-G198 PolarHBondContact O-N 3.23Å
199	N	98.9	Very high	98.9	Very high	0 Å²	0	6 Å²	6	0%	0	3%	0.03	C	C	.	.			trans	-77.4	169.9	172.5	-61.6	-79.7	0	0	0	111.4	W88 I171 G172 A194 C197 Y497	W88-N199 PolarHBondContact NE1-O 2.78Å; I171-N199 PolarHBondContact N-OD1 2.77Å; G172-N199 PolarHBondContact N-OD1 2.69Å; G172-N199 WeakPolarHBondContact O-CB 3.29Å; G172-N199 PolarHBondContact O-OD1 2.91Å; A194-N199 HydrophobicContact CB-CB 4.43Å; A194-N199 VanDerWaalsContact O-CB 3.31Å; A194-N199 WeakPolarHBondContact O-CB 3.34Å; A194-N199 PolarHBondContact O-N 3.19Å; A194-N199 PolarHBondContact O-ND2 2.84Å; C197-N199 WeakPolarHBondContact CB-ND2 3.45Å; N199-Y497 PolarHBondContact ND2-O 3.09Å
200	T	99	Very high	98.9	Very high	0 Å²	0	5.5 Å²	5.5	0%	0	3%	0.028	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	152.7	167.3	54	0	0	0	0	109.1	A78 A81 F82 G172 V173 C174 V229	A78-T200 PolarHBondContact O-OG1 3.43Å; A81-T200 HydrophobicContact CB-CG2 3.94Å; F82-T200 HydrophobicContact CB-CG2 3.86Å; F82-T200 HydrophobicContact CD2-CG2 4.24Å; G172-T200 PolarHBondContact O-N 3.45Å; V173-T200 WeakPolarHBondContact CA-O 3.39Å; C174-T200 PolarHBondContact N-O 3.02Å; T200-V229 CarbonylContact C-O 3.59Å; T200-V229 VanDerWaalsContact CA-O 3.31Å; T200-V229 WeakPolarHBondContact CA-O 3.4Å; T200-V229 HydrophobicContact CG2-CG2 4.4Å
201	M	98.9	Very high	98.9	Very high	0 Å²	0	5.6 Å²	5.6	0%	0	3%	0.029	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	147.1	-169	-59.7	-161.7	80.5	0	0	115.1	C174 A176 K190 L191 A194 L195 L203 V229 N231	C174-M201 HydrophobicContact CB-CE 4.28Å; C174-M201 HydrophobicContact CB-CG 4.38Å; C174-M201 VanDerWaalsContact O-CA 3.26Å; C174-M201 WeakPolarHBondContact O-CA 3.2Å; A176-M201 HydrophobicContact CB-CE 3.7Å; K190-M201 HydrophobicContact CB-CE 4.34Å; L191-M201 HydrophobicContact CB-SD 4.3Å; L191-M201 HydrophobicContact CG-SD 4.49Å; A194-M201 HydrophobicContact CB-CE 3.87Å; A194-M201 HydrophobicContact CB-CG 4.13Å; A194-M201 HydrophobicContact CB-SD 3.46Å; A194-M201 WeakPolarHBondContact CB-SD 3.34Å; L195-M201 HydrophobicContact CD2-CG 4.46Å; M201-L203 HydrophobicContact CB-CD1 3.6Å; M201-L203 HydrophobicContact CB-CG 4.33Å; M201-V229 PolarHBondContact N-O 3.26Å; M201-N231 PolarHBondContact O-N 3.32Å; M201-N231 PolarHBondContact O-ND2 2.9Å
202	V	99	Very high	98.9	Very high	0 Å²	0	5.6 Å²	5.6	0%	0	3%	0.029	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	113.4	164.7	-178.3	0	0	0	0	107.9	A74 V75 A78 V173 C174 G175 A176 N231 V233 I244	A74-V202 HydrophobicContact CB-CG1 3.82Å; A74-V202 HydrophobicContact CB-CG2 4.09Å; V75-V202 HydrophobicContact CG2-CG2 3.92Å; A78-V202 HydrophobicContact CB-CG2 4.08Å; V173-V202 HydrophobicContact CG1-CG2 4.24Å; C174-V202 PolarHBondContact O-N 2.95Å; G175-V202 CarbonylContact C-O 3.51Å; G175-V202 WeakPolarHBondContact CA-O 3.36Å; A176-V202 PolarHBondContact N-O 3.32Å; V202-N231 CarbonylContact C-O 3.6Å; V202-N231 WeakPolarHBondContact CA-O 3.5Å; V202-V233 HydrophobicContact CG1-CG2 4.34Å; V202-I244 HydrophobicContact CG1-CD1 4.11Å; V202-I244 HydrophobicContact CG1-CG1 4.32Å
203	L	98.9	Very high	98.9	Very high	2 Å²	2	5.7 Å²	5.7	1%	0.01	3%	0.029	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	137.7	-172.4	-58.4	93.5	0	0	0	110.9	A176 L187 L191 M201 V230 N231 I232 V233	A176-L203 HydrophobicContact CB-CD2 4.27Å; A176-L203 HydrophobicContact CB-CG 4.12Å; A176-L203 CarbonylContact O-C 3.54Å; A176-L203 WeakPolarHBondContact O-CA 3.08Å; L187-L203 HydrophobicContact CD1-CD2 4.08Å; L187-L203 HydrophobicContact CD2-CD2 3.8Å; L187-L203 HydrophobicContact CG-CD2 3.64Å; L191-L203 HydrophobicContact CD1-CD2 4.41Å; M201-L203 HydrophobicContact CB-CD1 3.6Å; M201-L203 HydrophobicContact CB-CG 4.33Å; L203-V230 HydrophobicContact CD1-CG1 3.46Å; L203-V230 VanDerWaalsContact CD1-CG1 3.46Å; L203-N231 VanDerWaalsContact CD1-O 3.23Å; L203-N231 WeakPolarHBondContact CD1-O 3.32Å; L203-N231 PolarHBondContact N-O 2.93Å; L203-I232 HydrophobicContact CB-CG1 4.42Å; L203-I232 HydrophobicContact CD1-CG1 4.36Å; L203-I232 CarbonylContact O-C 3.6Å; L203-I232 WeakPolarHBondContact O-CA 3.3Å; L203-V233 PolarHBondContact O-N 3.44Å
204	K	98.9	Very high	98.9	Very high	4 Å²	4	5.7 Å²	5.7	2%	0.017	3%	0.029	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	104.3	170.4	-176.6	-90.8	177.8	-132	0	108.6	A176 I177 T178 E207 G235 F236 V240 I244	A176-K204 PolarHBondContact O-N 3.39Å; I177-K204 WeakPolarHBondContact CA-O 3.32Å; I177-K204 HydrophobicContact CG1-CB 4.31Å; I177-K204 HydrophobicContact CG2-CD 4.06Å; T178-K204 PolarHBondContact N-O 2.87Å; K204-E207 IonicContact NZ-OE2 2.7Å; K204-E207 PolarHBondContact NZ-OE2 3.4Å; K204-G235 WeakPolarHBondContact CE-O 3.36Å; K204-G235 PolarHBondContact NZ-O 3.18Å; K204-F236 VanDerWaalsContact CE-C 3.5Å; K204-F236 WeakPolarHBondContact CE-O 3.29Å; K204-V240 HydrophobicContact CB-CG1 3.89Å; K204-V240 HydrophobicContact CG-CB 3.87Å; K204-V240 HydrophobicContact CG-CG1 3.48Å; K204-V240 VanDerWaalsContact CG-CG1 3.48Å; K204-I244 HydrophobicContact CB-CD1 3.69Å
205	P	98.9	Very high	98.9	Very high	3 Å²	3	6.5 Å²	6.5	2%	0.019	3%	0.033	C	C	.	.			trans	-70.5	157.4	169.5	31.3	-34.3	0	0	0	110.6	P210 A213 I232 P234	P205-P210 HydrophobicContact CG-CB 4.32Å; P205-A213 HydrophobicContact CB-CB 3.73Å; P205-A213 HydrophobicContact CG-CB 3.96Å; P205-I232 HydrophobicContact CG-CG2 4.21Å; P205-P234 HydrophobicContact CG-CB 4.46Å
206	A	98.8	Very high	98.9	Very high	4 Å²	4	6.5 Å²	6.5	3%	0.033	3%	0.033	C	C	.	.			trans	-58.8	141.4	173.7	0	0	0	0	0	111.2	T178 W180 Q208 T209	T178-A206 PolarHBondContact O-N 3.42Å; W180-A206 HydrophobicContact CB-CB 3.77Å; A206-Q208 PolarHBondContact O-N 2.98Å; A206-T209 CarbonylContact O-C 3.58Å; A206-T209 PolarHBondContact O-N 2.93Å
207	E	98.7	Very high	98.9	Very high	46 Å²	46	6.5 Å²	6.5	22%	0.215	3%	0.033	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-26.5	-179.8	53.2	-91.4	-142.8	0	0	112.6	F49 K204 T209 F236	F49-E207 HydrophobicContact CE2-CB 4.22Å; F49-E207 VanDerWaalsContact CE2-O 3.23Å; F49-E207 WeakPolarHBondContact CE2-O 3.35Å; K204-E207 IonicContact NZ-OE2 2.7Å; K204-E207 PolarHBondContact NZ-OE2 3.4Å; E207-T209 VanDerWaalsContact C-N 3.3Å; E207-T209 PolarHBondContact O-N 2.94Å; E207-F236 HydrophobicContact CB-CD1 3.85Å; E207-F236 HydrophobicContact CB-CE1 3.94Å; E207-F236 HydrophobicContact CB-CG 4.42Å; E207-F236 HydrophobicContact CG-CD1 3.64Å; E207-F236 HydrophobicContact CG-CE1 3.84Å
208	Q	98.8	Very high	98.9	Very high	44 Å²	44	7.1 Å²	7.1	21%	0.206	4%	0.038	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-24.4	174.1	-62.7	89	-18.8	0	0	113.2	T51 W180 A206 I357 D358	T51-Q208 PolarHBondContact OG1-O 3.45Å; T51-Q208 VanDerWaalsContact OG1-O 3.07Å; W180-Q208 HydrophobicContact CB-CB 4.01Å; W180-Q208 HydrophobicContact CG-CB 4.5Å; A206-Q208 PolarHBondContact O-N 2.98Å; Q208-I357 HydrophobicContact CB-CD1 4.25Å; Q208-I357 HydrophobicContact CB-CG1 3.97Å; Q208-I357 HydrophobicContact CG-CG1 4.14Å; Q208-D358 PolarHBondContact NE2-OD2 3.41Å
209	T	98.8	Very high	98.9	Very high	1 Å²	1	7 Å²	7	1%	0.006	4%	0.036	C	C	.	.			trans	-142.2	52.1	-164.7	50.9	0	0	0	0	114.2	D121 T122 W180 P183 A206 E207 L211 I357	D121-T209 WeakPolarHBondContact OD2-CA 3.43Å; T122-T209 HydrophobicContact CG2-CG2 3.59Å; W180-T209 VanDerWaalsContact CA-OG1 3.25Å; W180-T209 WeakPolarHBondContact CA-OG1 3.26Å; W180-T209 HydrophobicContact CB-CG2 3.86Å; W180-T209 WeakPolarHBondContact CB-OG1 3.18Å; P183-T209 VanDerWaalsContact CG-CB 3.44Å; P183-T209 HydrophobicContact CG-CG2 3.78Å; P183-T209 WeakPolarHBondContact CG-OG1 3.42Å; A206-T209 CarbonylContact O-C 3.58Å; A206-T209 PolarHBondContact O-N 2.93Å; E207-T209 VanDerWaalsContact C-N 3.3Å; E207-T209 PolarHBondContact O-N 2.94Å; T209-L211 VanDerWaalsContact C-N 3.35Å; T209-L211 PolarHBondContact O-N 3.13Å; T209-I357 HydrophobicContact CG2-CD1 3.85Å
210	P	98.8	Very high	98.9	Very high	0 Å²	0	7 Å²	7	0%	0	4%	0.036	C	C	.	.			trans	-76.4	-18.9	-174.4	32.5	-36.5	0	0	0	113.8	F49 T51 V63 D121 P205 T212 A213 L214 P234	F49-P210 HydrophobicContact CE2-CG 4.25Å; F49-P210 HydrophobicContact CZ-CB 4.45Å; F49-P210 HydrophobicContact CZ-CG 4.23Å; T51-P210 HydrophobicContact CG2-CG 4.5Å; V63-P210 HydrophobicContact CB-CG 4.46Å; V63-P210 HydrophobicContact CG1-CB 4.39Å; V63-P210 HydrophobicContact CG1-CG 4.41Å; V63-P210 HydrophobicContact CG2-CG 3.89Å; D121-P210 WeakPolarHBondContact OD2-CD 3.3Å; P205-P210 HydrophobicContact CG-CB 4.32Å; P210-T212 PolarHBondContact O-N 2.87Å; P210-A213 PolarHBondContact O-N 2.6Å; P210-L214 WeakPolarHBondContact O-CG 3.46Å; P210-L214 PolarHBondContact O-N 2.65Å; P210-P234 HydrophobicContact CB-CB 4.21Å
211	L	98.9	Very high	98.9	Very high	3 Å²	3	11.9 Å²	11.9	2%	0.016	6%	0.057	C	C	.	.	H	α-helix	trans	-69	-43.9	-156.7	-62.6	-175.9	0	0	0	114.4	V29 T51 I60 V63 M120 D121 T209 L214 H215	V29-L211 HydrophobicContact CG1-CD1 4.33Å; V29-L211 HydrophobicContact CG1-CD2 3.75Å; V29-L211 HydrophobicContact CG2-CD1 3.99Å; T51-L211 HydrophobicContact CG2-CD1 3.98Å; T51-L211 HydrophobicContact CG2-CD2 4.1Å; T51-L211 HydrophobicContact CG2-CG 4.05Å; I60-L211 HydrophobicContact CD1-CD1 4.42Å; I60-L211 HydrophobicContact CG2-CD1 3.87Å; V63-L211 HydrophobicContact CG2-CD2 4.01Å; M120-L211 HydrophobicContact CE-CD1 4.45Å; D121-L211 HydrophobicContact CB-CD1 4.33Å; D121-L211 WeakPolarHBondContact OD2-CB 3.48Å; D121-L211 WeakPolarHBondContact OD2-CG 3.31Å; D121-L211 PolarHBondContact OD2-N 3.24Å; T209-L211 VanDerWaalsContact C-N 3.35Å; T209-L211 PolarHBondContact O-N 3.13Å; L211-L214 PolarHBondContact O-N 3.25Å; L211-H215 PolarHBondContact O-N 3.3Å
212	T	98.9	Very high	98.9	Very high	1 Å²	1	16.5 Å²	16.5	1%	0.006	8%	0.079	C	C	.	.	H	α-helix	trans	-72	-30.9	-179.2	49.5	0	0	0	0	113	L114 L117 E118 P210 H215 L216	L114-T212 HydrophobicContact CD2-CG2 4.3Å; L117-T212 HydrophobicContact CB-CG2 3.46Å; L117-T212 VanDerWaalsContact CB-CG2 3.46Å; L117-T212 HydrophobicContact CD1-CG2 4.36Å; E118-T212 HydrophobicContact CB-CG2 4.13Å; E118-T212 WeakPolarHBondContact OE2-CB 3.47Å; E118-T212 WeakPolarHBondContact OE2-CG2 3.33Å; E118-T212 PolarHBondContact OE2-OG1 2.99Å; P210-T212 PolarHBondContact O-N 2.87Å; T212-H215 PolarHBondContact O-N 3.23Å; T212-L216 WeakPolarHBondContact O-CB 3.38Å; T212-L216 PolarHBondContact O-N 2.92Å
213	A	98.9	Very high	98.9	Very high	1 Å²	1	16.6 Å²	16.6	1%	0.008	8%	0.079	C	C	.	.	H	α-helix	trans	-61.6	-45	171	0	0	0	0	0	111.1	L187 P205 P210 L216 G217 I232	L187-A213 HydrophobicContact CD1-CB 3.37Å; P205-A213 HydrophobicContact CB-CB 3.73Å; P205-A213 HydrophobicContact CG-CB 3.96Å; P210-A213 PolarHBondContact O-N 2.6Å; A213-L216 WeakPolarHBondContact O-CB 3.5Å; A213-L216 PolarHBondContact O-N 3.14Å; A213-G217 PolarHBondContact O-N 3.5Å; A213-I232 HydrophobicContact CB-CG2 4.48Å; A213-I232 WeakPolarHBondContact O-CD1 3.24Å
214	L	98.9	Very high	98.9	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-66.3	-42.2	176.7	-60.4	178.7	0	0	0	111.3	F31 K33 W40 V63 P210 L211 L216 G217 S218 I232 P234	F31-L214 HydrophobicContact CB-CB 4Å; F31-L214 WeakPolarHBondContact O-CD1 3.49Å; K33-L214 WeakPolarHBondContact O-CD2 3.47Å; W40-L214 HydrophobicContact CH2-CB 4.36Å; W40-L214 VanDerWaalsContact CH2-O 3.25Å; W40-L214 WeakPolarHBondContact CH2-O 3.28Å; W40-L214 HydrophobicContact CZ3-CB 4.41Å; W40-L214 HydrophobicContact CZ3-CD2 4.22Å; V63-L214 HydrophobicContact CG1-CD1 3.78Å; P210-L214 WeakPolarHBondContact O-CG 3.46Å; P210-L214 PolarHBondContact O-N 2.65Å; L211-L214 PolarHBondContact O-N 3.25Å; L214-L216 VanDerWaalsContact C-N 3.28Å; L214-L216 PolarHBondContact O-N 3.32Å; L214-G217 WeakPolarHBondContact O-CA 3.44Å; L214-G217 PolarHBondContact O-N 3.41Å; L214-S218 PolarHBondContact O-N 3.1Å; L214-I232 HydrophobicContact CD2-CB 4.45Å; L214-I232 HydrophobicContact CD2-CG2 3.91Å; L214-P234 HydrophobicContact CD1-CG 4.44Å; L214-P234 HydrophobicContact CD2-CG 4.16Å
215	H	98.9	Very high	98.9	Very high	17 Å²	17	18.7 Å²	18.7	8%	0.079	10%	0.102	C	C	.	.	H	α-helix	trans	-58	-42.4	173.3	-165.7	98	0	0	0	111.6	F31 D110 L114 L117 L211 T212 G217 S218 L219	F31-H215 HydrophobicContact CD2-CB 4.26Å; F31-H215 AromaticContact CD2-ND1 3.67Å; F31-H215 AromaticContact CE2-ND1 3.68Å; D110-H215 IonicContact OD2-CE1 3.51Å; D110-H215 IonicContact OD2-NE2 3.41Å; D110-H215 PolarHBondContact OD2-NE2 3.31Å; L114-H215 HydrophobicContact CD2-CB 3.92Å; L117-H215 HydrophobicContact CD1-CB 3.94Å; L211-H215 PolarHBondContact O-N 3.3Å; T212-H215 PolarHBondContact O-N 3.23Å; H215-G217 VanDerWaalsContact C-N 3.28Å; H215-G217 PolarHBondContact O-N 2.9Å; H215-S218 WeakPolarHBondContact O-CB 3.4Å; H215-S218 PolarHBondContact O-N 3Å; H215-S218 PolarHBondContact O-OG 3.46Å; H215-L219 PolarHBondContact O-N 2.67Å
216	L	98.9	Very high	98.9	Very high	1 Å²	1	19.7 Å²	19.7	1%	0.005	11%	0.108	C	C	.	.	H	α-helix	trans	-59.8	-36.4	174.5	-175	71.2	0	0	0	112.4	L103 V107 L184 L187 V188 L191 T212 A213 L214 S218 L219 I220	L103-L216 HydrophobicContact CD1-CD1 3.87Å; L103-L216 HydrophobicContact CD2-CD1 4.44Å; L103-L216 HydrophobicContact CG-CD1 4.37Å; V107-L216 HydrophobicContact CG2-CD1 3.75Å; L184-L216 HydrophobicContact CD1-CB 4.1Å; L184-L216 HydrophobicContact CD1-CD2 3.98Å; L184-L216 HydrophobicContact CD1-CG 4.44Å; L187-L216 HydrophobicContact CD2-CD2 3.36Å; V188-L216 HydrophobicContact CG2-CD2 4.5Å; L191-L216 HydrophobicContact CD1-CD2 4.2Å; T212-L216 WeakPolarHBondContact O-CB 3.38Å; T212-L216 PolarHBondContact O-N 2.92Å; A213-L216 WeakPolarHBondContact O-CB 3.5Å; A213-L216 PolarHBondContact O-N 3.14Å; L214-L216 VanDerWaalsContact C-N 3.28Å; L214-L216 PolarHBondContact O-N 3.32Å; L216-S218 PolarHBondContact O-N 3.2Å; L216-L219 CarbonylContact O-C 3.53Å; L216-L219 PolarHBondContact O-N 2.83Å; L216-I220 HydrophobicContact CD2-CD1 4.29Å; L216-I220 HydrophobicContact CG-CD1 4Å; L216-I220 HydrophobicContact CG-CG1 4.25Å; L216-I220 VanDerWaalsContact O-CG1 3.3Å; L216-I220 WeakPolarHBondContact O-CG1 3.42Å; L216-I220 PolarHBondContact O-N 3Å
217	G	98.9	Very high	98.9	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-54	-39.8	172.6	0	0	0	0	0	112.9	F35 A213 L214 H215 I220 K221	F35-G217 WeakPolarHBondContact CE2-O 3.24Å; F35-G217 WeakPolarHBondContact CZ-O 3.36Å; A213-G217 PolarHBondContact O-N 3.5Å; L214-G217 WeakPolarHBondContact O-CA 3.44Å; L214-G217 PolarHBondContact O-N 3.41Å; H215-G217 VanDerWaalsContact C-N 3.28Å; H215-G217 PolarHBondContact O-N 2.9Å; G217-I220 PolarHBondContact O-N 3.17Å; G217-K221 PolarHBondContact O-N 3.02Å; G217-K221 VanDerWaalsContact O-N 3.16Å
218	S	98.9	Very high	98.9	Very high	19 Å²	19	20.9 Å²	20.9	13%	0.133	12%	0.12	C	C	.	.	H	α-helix	trans	-64.5	-40.8	174.1	81.6	0	0	0	0	112.7	F31 L214 H215 L216 K221 E222	F31-S218 VanDerWaalsContact CE2-OG 3.31Å; F31-S218 WeakPolarHBondContact CE2-OG 3.46Å; F31-S218 WeakPolarHBondContact CZ-OG 3.37Å; L214-S218 PolarHBondContact O-N 3.1Å; H215-S218 WeakPolarHBondContact O-CB 3.4Å; H215-S218 PolarHBondContact O-N 3Å; H215-S218 PolarHBondContact O-OG 3.46Å; L216-S218 PolarHBondContact O-N 3.2Å; S218-K221 WeakPolarHBondContact O-CB 3.42Å; S218-K221 PolarHBondContact O-N 3.35Å; S218-E222 PolarHBondContact O-N 2.88Å
219	L	98.9	Very high	98.9	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-70.8	-32.7	179.2	-55	-174.6	0	0	0	111.9	L103 L106 V107 D110 L114 H215 L216 E222 A223	L103-L219 HydrophobicContact CD1-CB 3.8Å; L106-L219 HydrophobicContact CB-CB 4.3Å; L106-L219 HydrophobicContact CB-CD1 4.43Å; L106-L219 HydrophobicContact CB-CD2 4.36Å; L106-L219 HydrophobicContact CD1-CB 4.46Å; L106-L219 WeakPolarHBondContact CD1-O 3.29Å; V107-L219 HydrophobicContact CG2-CD1 3.96Å; D110-L219 HydrophobicContact CB-CD1 4.44Å; D110-L219 WeakPolarHBondContact OD2-CD2 3.22Å; L114-L219 HydrophobicContact CD1-CD1 4.16Å; H215-L219 PolarHBondContact O-N 2.67Å; L216-L219 CarbonylContact O-C 3.53Å; L216-L219 PolarHBondContact O-N 2.83Å; L219-E222 PolarHBondContact O-N 3.06Å; L219-A223 VanDerWaalsContact O-CB 3.27Å; L219-A223 WeakPolarHBondContact O-CB 3.33Å; L219-A223 PolarHBondContact O-N 3.39Å
220	I	98.9	Very high	98.9	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-64.1	-42.8	173.7	-71.1	168.8	0	0	0	110.5	L103 L191 L216 G217 A223 G224 F225 V230	L103-I220 HydrophobicContact CD1-CG1 3.92Å; L103-I220 HydrophobicContact CD2-CG1 3.93Å; L191-I220 HydrophobicContact CD1-CD1 3.76Å; L216-I220 HydrophobicContact CD2-CD1 4.29Å; L216-I220 HydrophobicContact CG-CD1 4Å; L216-I220 HydrophobicContact CG-CG1 4.25Å; L216-I220 VanDerWaalsContact O-CG1 3.3Å; L216-I220 WeakPolarHBondContact O-CG1 3.42Å; L216-I220 PolarHBondContact O-N 3Å; G217-I220 PolarHBondContact O-N 3.17Å; I220-A223 PolarHBondContact O-N 3.27Å; I220-G224 PolarHBondContact O-N 3.46Å; I220-F225 HydrophobicContact CB-CD2 4.46Å; I220-F225 HydrophobicContact CG2-CB 3.81Å; I220-F225 HydrophobicContact CG2-CD2 3.81Å; I220-F225 HydrophobicContact CG2-CG 3.95Å; I220-F225 WeakPolarHBondContact O-CD2 2.73Å; I220-F225 PolarHBondContact O-N 2.84Å; I220-V230 HydrophobicContact CD1-CB 4.15Å; I220-V230 HydrophobicContact CD1-CG1 3.72Å; I220-V230 HydrophobicContact CD1-CG2 4.22Å; I220-V230 HydrophobicContact CG2-CB 4.08Å; I220-V230 HydrophobicContact CG2-CG2 4.17Å
221	K	98.9	Very high	98.9	Very high	103 Å²	103	18.8 Å²	18.8	45%	0.448	11%	0.11	S	C	.	.	H	α-helix	trans	-62.2	-46.7	173.2	179.9	176.8	-172.8	163.7	0	111.2	F35 N38 G217 S218 A223 G224	F35-K221 HydrophobicContact CE2-CB 4.35Å; F35-K221 HydrophobicContact CZ-CB 4.19Å; N38-K221 HydrophobicContact CB-CB 4.36Å; N38-K221 HydrophobicContact CB-CD 4.13Å; N38-K221 HydrophobicContact CB-CG 4.04Å; N38-K221 VanDerWaalsContact O-CD 3.3Å; N38-K221 WeakPolarHBondContact O-CD 3.11Å; N38-K221 VanDerWaalsContact O-CE 3.3Å; N38-K221 WeakPolarHBondContact O-CE 3.37Å; N38-K221 PolarHBondContact O-NZ 2.68Å; G217-K221 PolarHBondContact O-N 3.02Å; G217-K221 VanDerWaalsContact O-N 3.16Å; S218-K221 WeakPolarHBondContact O-CB 3.42Å; S218-K221 PolarHBondContact O-N 3.35Å; K221-A223 VanDerWaalsContact C-N 3.33Å; K221-A223 PolarHBondContact O-N 2.8Å; K221-G224 PolarHBondContact O-N 3.38Å; K221-G224 VanDerWaalsContact O-N 3.1Å
222	E	98.9	Very high	98.9	Very high	98 Å²	98	18.7 Å²	18.7	46%	0.458	11%	0.109	S	C	.	.	H	α-helix	trans	-64	-36	179.3	-174.6	179	-179.4	0	0	112.6	L106 R109 S218 L219 G224	L106-E222 HydrophobicContact CD1-CB 3.89Å; L106-E222 HydrophobicContact CD1-CG 3.87Å; L106-E222 HydrophobicContact CD2-CG 4.27Å; R109-E222 IonicContact CZ-OE1 2.81Å; R109-E222 IonicContact CZ-OE2 3.8Å; R109-E222 IonicContact NH1-OE1 3.26Å; R109-E222 PolarHBondContact NH1-OE1 2.88Å; R109-E222 IonicContact NH1-OE2 2.82Å; R109-E222 PolarHBondContact NH1-OE2 2.91Å; R109-E222 IonicContact NH2-OE1 2.84Å; R109-E222 IonicContact NH2-OE2 3.8Å; R109-E222 PolarHBondContact NH2-OE2 2.97Å; S218-E222 PolarHBondContact O-N 2.88Å; L219-E222 PolarHBondContact O-N 3.06Å; E222-G224 PolarHBondContact O-N 3.06Å
223	A	98.8	Very high	98.9	Very high	1 Å²	1	18.6 Å²	18.6	1%	0.008	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-14.7	174.6	0	0	0	0	0	113.2	L99 Q102 L103 L106 L219 I220 K221 F225	L99-A223 WeakPolarHBondContact CD2-O 3.45Å; Q102-A223 HydrophobicContact CG-CB 4.2Å; Q102-A223 PolarHBondContact NE2-O 2.75Å; Q102-A223 PolarHBondContact OE1-O 3.47Å; L103-A223 HydrophobicContact CB-CB 4.28Å; L106-A223 HydrophobicContact CD1-CB 3.93Å; L219-A223 VanDerWaalsContact O-CB 3.27Å; L219-A223 WeakPolarHBondContact O-CB 3.33Å; L219-A223 PolarHBondContact O-N 3.39Å; I220-A223 PolarHBondContact O-N 3.27Å; K221-A223 VanDerWaalsContact C-N 3.33Å; K221-A223 PolarHBondContact O-N 2.8Å; A223-F225 HydrophobicContact CB-CD2 3.89Å; A223-F225 HydrophobicContact CB-CE2 3.92Å
224	G	98.8	Very high	98.9	Very high	47 Å²	47	18.6 Å²	18.6	49%	0.485	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.6	24.1	176.6	0	0	0	0	0	114.4	I220 K221 E222	I220-G224 PolarHBondContact O-N 3.46Å; K221-G224 PolarHBondContact O-N 3.38Å; K221-G224 VanDerWaalsContact O-N 3.1Å; E222-G224 PolarHBondContact O-N 3.06Å
225	F	98.9	Very high	98.9	Very high	4 Å²	4	18.6 Å²	18.6	2%	0.018	11%	0.109	C	C	.	.	P	Polyproline II helix	trans	-61.1	137.7	169.4	-77.2	-92.2	0	0	0	110.3	N38 W88 L99 L100 L103 L195 I220 A223 V229	N38-F225 PolarHBondContact ND2-O 3.23Å; W88-F225 HydrophobicContact CH2-CD1 4.24Å; W88-F225 HydrophobicContact CH2-CE1 4.08Å; W88-F225 HydrophobicContact CZ3-CD1 4.15Å; W88-F225 HydrophobicContact CZ3-CE1 4.32Å; L99-F225 HydrophobicContact CB-CD1 4.34Å; L99-F225 HydrophobicContact CB-CD2 4.39Å; L99-F225 HydrophobicContact CB-CE1 3.8Å; L99-F225 HydrophobicContact CB-CE2 3.87Å; L99-F225 HydrophobicContact CB-CZ 3.55Å; L99-F225 HydrophobicContact CD1-CD1 4.13Å; L99-F225 HydrophobicContact CD1-CE1 4.27Å; L99-F225 HydrophobicContact CD1-CG 4.5Å; L100-F225 HydrophobicContact CD2-CZ 4.17Å; L100-F225 HydrophobicContact CG-CZ 4.4Å; L103-F225 HydrophobicContact CB-CE2 4.15Å; L103-F225 HydrophobicContact CD2-CE2 4.17Å; L195-F225 HydrophobicContact CD1-CD1 4.29Å; L195-F225 HydrophobicContact CD1-CE1 3.68Å; L195-F225 HydrophobicContact CD1-CZ 4.06Å; I220-F225 HydrophobicContact CB-CD2 4.46Å; I220-F225 HydrophobicContact CG2-CB 3.81Å; I220-F225 HydrophobicContact CG2-CD2 3.81Å; I220-F225 HydrophobicContact CG2-CG 3.95Å; I220-F225 WeakPolarHBondContact O-CD2 2.73Å; I220-F225 PolarHBondContact O-N 2.84Å; A223-F225 HydrophobicContact CB-CD2 3.89Å; A223-F225 HydrophobicContact CB-CE2 3.92Å; F225-V229 HydrophobicContact CD1-CG1 4.22Å
226	P	98.9	Very high	98.9	Very high	23 Å²	23	21.2 Å²	21.2	15%	0.149	12%	0.12	C	C	.	.	P	Polyproline II helix	trans	-57	143.4	176.4	-24.5	32.8	0	0	0	112.1	P87 W88 G228 V229	P87-P226 HydrophobicContact CB-CB 4.41Å; P87-P226 HydrophobicContact CB-CG 4.35Å; W88-P226 HydrophobicContact CB-CG 4.35Å; W88-P226 HydrophobicContact CE3-CG 4.17Å; P226-G228 PolarHBondContact O-N 3.16Å; P226-V229 HydrophobicContact CB-CG2 3.84Å; P226-V229 HydrophobicContact CG-CG2 4.19Å; P226-V229 WeakPolarHBondContact O-CB 3.48Å; P226-V229 VanDerWaalsContact O-CG2 3.29Å; P226-V229 WeakPolarHBondContact O-CG2 3.43Å; P226-V229 PolarHBondContact O-N 3.33Å
227	P	98.9	Very high	98.9	Very high	76 Å²	76	22.6 Å²	22.6	49%	0.494	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.3	134.1	175.9	-28.5	36.1	0	0	0	112.3	N37 A81 V229	N37-P227 HydrophobicContact CB-CB 4.27Å; A81-P227 WeakPolarHBondContact CB-O 3.3Å; P227-V229 VanDerWaalsContact C-N 3.28Å; P227-V229 PolarHBondContact O-N 2.99Å
228	G	98.8	Very high	98.8	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.7	-10.5	175.3	0	0	0	0	0	113.9	N37 A78 A81 P226 V230 N231	N37-G228 WeakPolarHBondContact OD1-CA 3.46Å; N37-G228 PolarHBondContact OD1-N 3.24Å; A78-G228 WeakPolarHBondContact CA-O 3.26Å; A81-G228 VanDerWaalsContact CB-C 3.5Å; P226-G228 PolarHBondContact O-N 3.16Å; G228-V230 VanDerWaalsContact C-N 3.25Å; G228-V230 PolarHBondContact O-N 3.23Å; G228-N231 PolarHBondContact O-ND2 3.22Å
229	V	98.9	Very high	98.8	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	17%	0.174	C	C	.	.	S	Bend	trans	-63.3	-35.6	175.4	173.7	0	0	0	0	111.4	A81 W88 L195 T200 M201 F225 P226 P227	A81-V229 HydrophobicContact CB-CG2 4.14Å; W88-V229 HydrophobicContact CB-CG2 3.74Å; W88-V229 HydrophobicContact CD2-CG1 3.95Å; W88-V229 HydrophobicContact CD2-CG2 3.73Å; W88-V229 HydrophobicContact CE3-CG1 4.33Å; W88-V229 HydrophobicContact CE3-CG2 4.13Å; W88-V229 HydrophobicContact CG-CG1 4.41Å; W88-V229 HydrophobicContact CG-CG2 3.54Å; W88-V229 HydrophobicContact CH2-CG1 4.3Å; W88-V229 HydrophobicContact CZ2-CG1 3.91Å; W88-V229 HydrophobicContact CZ3-CG1 4.48Å; L195-V229 HydrophobicContact CD2-CG1 3.54Å; T200-V229 CarbonylContact C-O 3.59Å; T200-V229 VanDerWaalsContact CA-O 3.31Å; T200-V229 WeakPolarHBondContact CA-O 3.4Å; T200-V229 HydrophobicContact CG2-CG2 4.4Å; M201-V229 PolarHBondContact N-O 3.26Å; F225-V229 HydrophobicContact CD1-CG1 4.22Å; P226-V229 HydrophobicContact CB-CG2 3.84Å; P226-V229 HydrophobicContact CG-CG2 4.19Å; P226-V229 WeakPolarHBondContact O-CB 3.48Å; P226-V229 VanDerWaalsContact O-CG2 3.29Å; P226-V229 WeakPolarHBondContact O-CG2 3.43Å; P226-V229 PolarHBondContact O-N 3.33Å; P227-V229 VanDerWaalsContact C-N 3.28Å; P227-V229 PolarHBondContact O-N 2.99Å
230	V	98.9	Very high	98.8	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.006	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	131.3	172.9	-178.5	0	0	0	0	109.5	F35 L191 L195 L203 I220 G228 I232	F35-V230 WeakPolarHBondContact CE1-O 3.23Å; L191-V230 HydrophobicContact CD1-CG1 4.31Å; L191-V230 HydrophobicContact CD1-CG2 4.42Å; L195-V230 HydrophobicContact CD1-CG2 3.81Å; L195-V230 HydrophobicContact CD2-CG2 3.99Å; L195-V230 HydrophobicContact CG-CG2 4.44Å; L203-V230 HydrophobicContact CD1-CG1 3.46Å; L203-V230 VanDerWaalsContact CD1-CG1 3.46Å; I220-V230 HydrophobicContact CD1-CB 4.15Å; I220-V230 HydrophobicContact CD1-CG1 3.72Å; I220-V230 HydrophobicContact CD1-CG2 4.22Å; I220-V230 HydrophobicContact CG2-CB 4.08Å; I220-V230 HydrophobicContact CG2-CG2 4.17Å; G228-V230 VanDerWaalsContact C-N 3.25Å; G228-V230 PolarHBondContact O-N 3.23Å; V230-I232 HydrophobicContact CG1-CG1 4.31Å
231	N	98.9	Very high	98.8	Very high	0 Å²	0	29 Å²	29	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	137.3	177	-48.2	-86.3	0	0	0	108.8	F35 I36 N37 A74 M201 V202 L203 G228	F35-N231 CarbonylContact O-C 3.39Å; F35-N231 WeakPolarHBondContact O-CA 3.42Å; I36-N231 WeakPolarHBondContact CA-OD1 3.48Å; I36-N231 HydrophobicContact CG1-CB 4.3Å; N37-N231 PolarHBondContact N-OD1 3.44Å; A74-N231 HydrophobicContact CB-CB 3.91Å; M201-N231 PolarHBondContact O-N 3.32Å; M201-N231 PolarHBondContact O-ND2 2.9Å; V202-N231 CarbonylContact C-O 3.6Å; V202-N231 WeakPolarHBondContact CA-O 3.5Å; L203-N231 VanDerWaalsContact CD1-O 3.23Å; L203-N231 WeakPolarHBondContact CD1-O 3.32Å; L203-N231 PolarHBondContact N-O 2.93Å; G228-N231 PolarHBondContact O-ND2 3.22Å
232	I	99	Very high	98.8	Very high	0 Å²	0	26 Å²	26	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	118.7	-175.3	-51.2	167.9	0	0	0	108.4	F35 L203 P205 A213 L214 V230 P234	F35-I232 HydrophobicContact CB-CB 4.09Å; F35-I232 HydrophobicContact CB-CG1 4.48Å; F35-I232 HydrophobicContact CD1-CD1 4.39Å; F35-I232 HydrophobicContact CD1-CG1 4.37Å; F35-I232 PolarHBondContact N-O 3.21Å; F35-I232 PolarHBondContact O-N 2.97Å; L203-I232 HydrophobicContact CB-CG1 4.42Å; L203-I232 HydrophobicContact CD1-CG1 4.36Å; L203-I232 CarbonylContact O-C 3.6Å; L203-I232 WeakPolarHBondContact O-CA 3.3Å; P205-I232 HydrophobicContact CG-CG2 4.21Å; A213-I232 HydrophobicContact CB-CG2 4.48Å; A213-I232 WeakPolarHBondContact O-CD1 3.24Å; L214-I232 HydrophobicContact CD2-CB 4.45Å; L214-I232 HydrophobicContact CD2-CG2 3.91Å; V230-I232 HydrophobicContact CG1-CG1 4.31Å; I232-P234 WeakPolarHBondContact O-CD 3.45Å
233	V	98.9	Very high	98.8	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	15%	0.151	C	C	.	.			trans	-116.8	94	-179.3	-172	0	0	0	0	108.3	I34 D70 V71 A74 V202 L203 V240	I34-V233 HydrophobicContact CG2-CG2 4.27Å; D70-V233 HydrophobicContact CB-CG1 4.05Å; V71-V233 HydrophobicContact CG2-CG1 4.25Å; A74-V233 HydrophobicContact CB-CG2 3.72Å; V202-V233 HydrophobicContact CG1-CG2 4.34Å; L203-V233 PolarHBondContact O-N 3.44Å; V233-V240 HydrophobicContact CB-CG1 3.97Å; V233-V240 HydrophobicContact CG1-CG1 3.76Å; V233-V240 HydrophobicContact CG1-CG2 4.1Å
234	P	98.9	Very high	98.8	Very high	1 Å²	1	21.6 Å²	21.6	1%	0.006	15%	0.15	C	C	.	.			trans	-65	147.4	170.5	28	-34.8	0	0	0	110.7	I34 F49 V63 E64 G66 P205 P210 L214 I232	I34-P234 HydrophobicContact CG1-CG 4.26Å; F49-P234 HydrophobicContact CE1-CB 4.17Å; F49-P234 HydrophobicContact CZ-CB 4.15Å; V63-P234 HydrophobicContact CG1-CB 3.69Å; V63-P234 HydrophobicContact CG1-CG 3.64Å; E64-P234 WeakPolarHBondContact O-CG 3.5Å; G66-P234 WeakPolarHBondContact CA-O 3.31Å; G66-P234 PolarHBondContact N-O 3.2Å; P205-P234 HydrophobicContact CG-CB 4.46Å; P210-P234 HydrophobicContact CB-CB 4.21Å; L214-P234 HydrophobicContact CD1-CG 4.44Å; L214-P234 HydrophobicContact CD2-CG 4.16Å; I232-P234 WeakPolarHBondContact O-CD 3.45Å
235	G	98.6	Very high	98.8	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	13%	0.129	C	C	.	.			trans	157.8	-170.5	179.6	0	0	0	0	0	111.2	K204	K204-G235 WeakPolarHBondContact CE-O 3.36Å; K204-G235 PolarHBondContact NZ-O 3.18Å
236	F	98.8	Very high	98.8	Very high	72 Å²	72	22 Å²	22	32%	0.316	15%	0.147	S	C	.	.			trans	-88.1	159.7	-173.6	-67.7	-87.4	0	0	0	113.3	F49 E65 K204 E207 T239 V240 G241	F49-F236 HydrophobicContact CB-CE2 3.77Å; F49-F236 HydrophobicContact CB-CZ 3.91Å; F49-F236 HydrophobicContact CD1-CE2 4.34Å; F49-F236 HydrophobicContact CD2-CZ 4.38Å; F49-F236 AromaticContact CG-CE2 3.99Å; F49-F236 HydrophobicContact CG-CE2 3.99Å; F49-F236 HydrophobicContact CG-CZ 4.16Å; E65-F236 HydrophobicContact CG-CD2 4.19Å; E65-F236 HydrophobicContact CG-CE2 4.2Å; K204-F236 VanDerWaalsContact CE-C 3.5Å; K204-F236 WeakPolarHBondContact CE-O 3.29Å; E207-F236 HydrophobicContact CB-CD1 3.85Å; E207-F236 HydrophobicContact CB-CE1 3.94Å; E207-F236 HydrophobicContact CB-CG 4.42Å; E207-F236 HydrophobicContact CG-CD1 3.64Å; E207-F236 HydrophobicContact CG-CE1 3.84Å; F236-T239 PolarHBondContact O-N 3.25Å; F236-T239 PolarHBondContact O-OG1 2.82Å; F236-V240 PolarHBondContact O-N 2.71Å; F236-V240 VanDerWaalsContact O-N 3.1Å; F236-G241 PolarHBondContact O-N 3.37Å
237	G	98.4	Very high	98.8	Very high	29 Å²	29	21.4 Å²	21.4	30%	0.299	14%	0.141	S	C	.	.	I	π-helix	trans	-55.9	-54.4	175.4	0	0	0	0	0	113.9	T239 G241 A242	G237-T239 VanDerWaalsContact C-N 3.26Å; G237-T239 PolarHBondContact O-N 2.83Å; G237-G241 CarbonylContact O-C 3.45Å; G237-G241 WeakPolarHBondContact O-CA 3.48Å; G237-G241 PolarHBondContact O-N 3.16Å; G237-G241 VanDerWaalsContact O-N 3.13Å; G237-A242 PolarHBondContact O-N 3.03Å
238	P	98.6	Very high	98.8	Very high	111 Å²	111	21.9 Å²	21.9	72%	0.721	15%	0.145	S	C	*	.	I	π-helix	trans	-66.3	-19.5	-178.1	-25.4	36.3	0	0	0	115.7	A242	P238-A242 VanDerWaalsContact O-CB 3.25Å; P238-A242 WeakPolarHBondContact O-CB 3.21Å
239	T	98.7	Very high	98.8	Very high	39 Å²	39	25.7 Å²	25.7	24%	0.239	16%	0.163	C	C	.	.	I	π-helix	trans	-97.1	-79.7	178.5	53.1	0	0	0	0	110.4	D67 F236 G237 A243	D67-T239 WeakPolarHBondContact OD1-CB 3.25Å; F236-T239 PolarHBondContact O-N 3.25Å; F236-T239 PolarHBondContact O-OG1 2.82Å; G237-T239 VanDerWaalsContact C-N 3.26Å; G237-T239 PolarHBondContact O-N 2.83Å; T239-A243 VanDerWaalsContact O-CB 3.25Å; T239-A243 WeakPolarHBondContact O-CB 3.48Å; T239-A243 PolarHBondContact O-N 3.3Å
240	V	98.9	Very high	98.8	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	16%	0.163	C	C	.	.	I	π-helix	trans	-65.3	-46.1	-177.3	-176.8	0	0	0	0	111.5	G66 V71 K204 V233 F236 A243 I244	G66-V240 WeakPolarHBondContact O-CG2 3.28Å; V71-V240 HydrophobicContact CG2-CB 4.27Å; V71-V240 HydrophobicContact CG2-CG1 3.55Å; K204-V240 HydrophobicContact CB-CG1 3.89Å; K204-V240 HydrophobicContact CG-CB 3.87Å; K204-V240 HydrophobicContact CG-CG1 3.48Å; K204-V240 VanDerWaalsContact CG-CG1 3.48Å; V233-V240 HydrophobicContact CB-CG1 3.97Å; V233-V240 HydrophobicContact CG1-CG1 3.76Å; V233-V240 HydrophobicContact CG1-CG2 4.1Å; F236-V240 PolarHBondContact O-N 2.71Å; F236-V240 VanDerWaalsContact O-N 3.1Å; V240-A243 PolarHBondContact O-N 2.99Å; V240-I244 HydrophobicContact CG1-CD1 4Å; V240-I244 WeakPolarHBondContact O-CG1 3.38Å; V240-I244 PolarHBondContact O-N 2.8Å
241	G	98.8	Very high	98.8	Very high	4 Å²	4	28.8 Å²	28.8	4%	0.041	18%	0.179	C	C	.	.	I	π-helix	trans	-63.1	-45.4	-177.7	0	0	0	0	0	112.7	I177 F236 G237 I244 S245	I177-G241 WeakPolarHBondContact CD1-O 3.07Å; F236-G241 PolarHBondContact O-N 3.37Å; G237-G241 CarbonylContact O-C 3.45Å; G237-G241 WeakPolarHBondContact O-CA 3.48Å; G237-G241 PolarHBondContact O-N 3.16Å; G237-G241 VanDerWaalsContact O-N 3.13Å; G241-I244 PolarHBondContact O-N 3.38Å; G241-S245 PolarHBondContact O-N 3.32Å; G241-S245 PolarHBondContact O-OG 3.15Å
242	A	98.8	Very high	98.8	Very high	41 Å²	41	28.9 Å²	28.9	34%	0.339	18%	0.179	S	C	.	.	H	α-helix	trans	-67.1	-37.2	175.7	0	0	0	0	0	112.3	G237 P238 S245 S246	G237-A242 PolarHBondContact O-N 3.03Å; P238-A242 VanDerWaalsContact O-CB 3.25Å; P238-A242 WeakPolarHBondContact O-CB 3.21Å; A242-S245 WeakPolarHBondContact CA-OG 3.5Å; A242-S245 PolarHBondContact O-N 2.88Å; A242-S245 PolarHBondContact O-OG 3.24Å; A242-S245 VanDerWaalsContact O-OG 3.1Å; A242-S246 WeakPolarHBondContact O-CB 3.49Å; A242-S246 PolarHBondContact O-N 3.28Å; A242-S246 PolarHBondContact O-OG 2.98Å
243	A	98.9	Very high	98.8	Very high	5 Å²	5	28.9 Å²	28.9	4%	0.041	18%	0.179	C	C	.	.	H	α-helix	trans	-60.9	-45.8	174.3	0	0	0	0	0	111.2	K68 V71 T239 V240 S246 H247	K68-A243 HydrophobicContact CB-CB 3.93Å; K68-A243 HydrophobicContact CG-CB 4.21Å; V71-A243 HydrophobicContact CB-CB 4.1Å; V71-A243 HydrophobicContact CG1-CB 4.15Å; V71-A243 HydrophobicContact CG2-CB 4.02Å; T239-A243 VanDerWaalsContact O-CB 3.25Å; T239-A243 WeakPolarHBondContact O-CB 3.48Å; T239-A243 PolarHBondContact O-N 3.3Å; V240-A243 PolarHBondContact O-N 2.99Å; A243-S246 PolarHBondContact O-OG 3.48Å; A243-H247 VanDerWaalsContact O-CB 3.29Å; A243-H247 WeakPolarHBondContact O-CB 3.36Å; A243-H247 PolarHBondContact O-N 3.45Å
244	I	98.9	Very high	98.8	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-63.7	-46.4	177	-65.3	169.1	0	0	0	111.3	V71 V202 K204 V240 G241 S246 H247 I253	V71-I244 HydrophobicContact CG1-CG1 3.63Å; V71-I244 HydrophobicContact CG2-CG1 4.06Å; V202-I244 HydrophobicContact CG1-CD1 4.11Å; V202-I244 HydrophobicContact CG1-CG1 4.32Å; K204-I244 HydrophobicContact CB-CD1 3.69Å; V240-I244 HydrophobicContact CG1-CD1 4Å; V240-I244 WeakPolarHBondContact O-CG1 3.38Å; V240-I244 PolarHBondContact O-N 2.8Å; G241-I244 PolarHBondContact O-N 3.38Å; I244-S246 VanDerWaalsContact C-N 3.28Å; I244-S246 PolarHBondContact O-N 2.85Å; I244-H247 PolarHBondContact O-N 3.35Å; I244-I253 HydrophobicContact CG2-CD1 4.04Å
245	S	98.8	Very high	98.8	Very high	7 Å²	7	29.4 Å²	29.4	5%	0.049	18%	0.182	C	C	.	.	H	α-helix	trans	-67.2	-28.2	-176	69.2	0	0	0	0	113.4	G241 A242 A268 K275	G241-S245 PolarHBondContact O-N 3.32Å; G241-S245 PolarHBondContact O-OG 3.15Å; A242-S245 WeakPolarHBondContact CA-OG 3.5Å; A242-S245 PolarHBondContact O-N 2.88Å; A242-S245 PolarHBondContact O-OG 3.24Å; A242-S245 VanDerWaalsContact O-OG 3.1Å; S245-A268 WeakPolarHBondContact OG-CB 3.39Å; S245-K275 WeakPolarHBondContact O-CE 3.21Å; S245-K275 PolarHBondContact O-NZ 3.49Å
246	S	98.8	Very high	98.8	Very high	54 Å²	54	29.9 Å²	29.9	38%	0.378	19%	0.185	S	C	.	.	H	α-helix	trans	-96.8	-9.7	177.2	62.4	0	0	0	0	114.2	A242 A243 I244 S272	A242-S246 WeakPolarHBondContact O-CB 3.49Å; A242-S246 PolarHBondContact O-N 3.28Å; A242-S246 PolarHBondContact O-OG 2.98Å; A243-S246 PolarHBondContact O-OG 3.48Å; I244-S246 VanDerWaalsContact C-N 3.28Å; I244-S246 PolarHBondContact O-N 2.85Å; S246-S272 WeakPolarHBondContact O-CB 3.42Å
247	H	98.9	Very high	98.8	Very high	9 Å²	9	27.5 Å²	27.5	4%	0.042	18%	0.181	C	C	.	.			trans	-61.7	127.7	-174.4	-160.3	-85.4	0	0	0	111.5	D72 V75 A243 I244 Q249 V250 K275	D72-H247 IonicContact OD1-CD2 3.13Å; D72-H247 PolarHBondContact OD1-CD2 2.88Å; D72-H247 IonicContact OD1-NE2 3.17Å; D72-H247 PolarHBondContact OD1-NE2 2.97Å; D72-H247 VanDerWaalsContact OD1-NE2 3.17Å; V75-H247 WeakPolarHBondContact CG1-CE1 3.39Å; A243-H247 VanDerWaalsContact O-CB 3.29Å; A243-H247 WeakPolarHBondContact O-CB 3.36Å; A243-H247 PolarHBondContact O-N 3.45Å; I244-H247 PolarHBondContact O-N 3.35Å; H247-Q249 PolarHBondContact ND1-N 2.95Å; H247-Q249 VanDerWaalsContact ND1-N 3.13Å; H247-Q249 PolarHBondContact O-N 3.47Å; H247-V250 HydrophobicContact CB-CB 4.26Å; H247-V250 HydrophobicContact CB-CG2 3.76Å; H247-V250 PolarHBondContact O-N 2.75Å; H247-K275 WeakPolarHBondContact O-CE 3.49Å; H247-K275 PolarHBondContact O-NZ 3.31Å
248	P	98.8	Very high	98.8	Very high	86 Å²	86	28.7 Å²	28.7	56%	0.558	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-17.7	-175	27.7	-34.8	0	0	0	113.5	N273	P248-N273 VanDerWaalsContact C-ND2 3.31Å; P248-N273 PolarHBondContact O-ND2 2.97Å
249	Q	98.8	Very high	98.8	Very high	81 Å²	81	23.9 Å²	23.9	38%	0.379	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.6	3.5	-179.1	-46.7	-168.2	83.5	0	0	113.9	V75 Q79 H247	V75-Q249 HydrophobicContact CG1-CB 3.81Å; Q79-Q249 VanDerWaalsContact CD-OE1 3.25Å; H247-Q249 PolarHBondContact ND1-N 2.95Å; H247-Q249 VanDerWaalsContact ND1-N 3.13Å; H247-Q249 PolarHBondContact O-N 3.47Å
250	V	98.9	Very high	98.8	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	18%	0.175	C	C	.	.			trans	-88.7	122.6	169.1	171.2	0	0	0	0	108	V75 V173 H247 K252 N273 K275	V75-V250 HydrophobicContact CG1-CG2 4.43Å; V75-V250 HydrophobicContact CG2-CG2 3.75Å; V173-V250 HydrophobicContact CG1-CG2 4.24Å; H247-V250 HydrophobicContact CB-CB 4.26Å; H247-V250 HydrophobicContact CB-CG2 3.76Å; H247-V250 PolarHBondContact O-N 2.75Å; V250-K252 WeakPolarHBondContact CG1-O 3.23Å; V250-N273 PolarHBondContact O-ND2 3.2Å; V250-K275 HydrophobicContact CB-CD 4.5Å; V250-K275 HydrophobicContact CG1-CD 4.12Å; V250-K275 WeakPolarHBondContact O-CB 3.49Å; V250-K275 WeakPolarHBondContact O-CE 3.28Å
251	N	98.9	Very high	98.8	Very high	66 Å²	66	32 Å²	32	35%	0.353	19%	0.192	S	C	.	.			trans	-87.7	-26.4	-173.2	-55.9	104.2	0	0	0	113	I171 V173 K275 R276	I171-N251 HydrophobicContact CG2-CB 3.72Å; V173-N251 PolarHBondContact N-OD1 3.48Å; V173-N251 PolarHBondContact O-N 3.08Å; N251-K275 WeakPolarHBondContact O-CA 3.47Å; N251-K275 WeakPolarHBondContact O-CB 3.49Å; N251-R276 PolarHBondContact O-N 3.14Å; N251-R276 VanDerWaalsContact O-N 3.07Å
252	K	98.9	Very high	98.8	Very high	1 Å²	1	31.8 Å²	31.8	0%	0.004	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	147.9	176.7	168.9	175.7	171.7	78.9	0	110.8	I171 V173 C174 G175 V250 R276 T278 E496 Y497	I171-K252 HydrophobicContact CD1-CB 4.33Å; I171-K252 HydrophobicContact CD1-CD 3.56Å; I171-K252 HydrophobicContact CG2-CB 4.06Å; V173-K252 PolarHBondContact O-N 2.8Å; C174-K252 CarbonylContact C-O 3.48Å; C174-K252 WeakPolarHBondContact CA-O 3.25Å; G175-K252 PolarHBondContact N-O 2.97Å; V250-K252 WeakPolarHBondContact CG1-O 3.23Å; K252-R276 CarbonylContact C-O 3.59Å; K252-R276 VanDerWaalsContact CA-O 3.26Å; K252-R276 WeakPolarHBondContact CA-O 3.35Å; K252-R276 HydrophobicContact CB-CB 4.18Å; K252-R276 HydrophobicContact CG-CB 4.21Å; K252-T278 PolarHBondContact NZ-OG1 3.19Å; K252-E496 WeakPolarHBondContact CD-O 3.49Å; K252-E496 WeakPolarHBondContact CE-O 3.49Å; K252-E496 PolarHBondContact NZ-O 3.13Å; K252-Y497 HydrophobicContact CD-CD1 3.95Å; K252-Y497 HydrophobicContact CD-CE1 4.02Å; K252-Y497 VanDerWaalsContact CE-CE1 3.44Å
253	I	98.9	Very high	98.8	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	136.3	167.6	-170.6	162.1	0	0	0	111.6	G175 I177 I244 V265 A269 K275 R276 V277 T278	G175-I253 CarbonylContact O-C 3.49Å; G175-I253 WeakPolarHBondContact O-CA 3.39Å; I177-I253 HydrophobicContact CD1-CD1 3.84Å; I177-I253 HydrophobicContact CG1-CD1 4.45Å; I244-I253 HydrophobicContact CG2-CD1 4.04Å; I253-V265 HydrophobicContact CD1-CG1 3.85Å; I253-V265 HydrophobicContact CG1-CG1 4.28Å; I253-V265 HydrophobicContact CG2-CG1 4.01Å; I253-A269 HydrophobicContact CG2-CB 4.48Å; I253-K275 HydrophobicContact CB-CD 4.19Å; I253-K275 HydrophobicContact CG2-CD 4.01Å; I253-K275 HydrophobicContact CG2-CG 4.38Å; I253-R276 PolarHBondContact N-O 3.16Å; I253-V277 HydrophobicContact CG2-CB 4.28Å; I253-V277 HydrophobicContact CG2-CG1 4.09Å; I253-V277 HydrophobicContact CG2-CG2 3.88Å; I253-V277 WeakPolarHBondContact O-CA 3.31Å; I253-T278 PolarHBondContact O-N 3.07Å
254	A	98.9	Very high	98.8	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.008	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	120.2	169	0	0	0	0	0	109	G175 A176 I177 K190 Y497	G175-A254 PolarHBondContact O-N 3.02Å; A176-A254 WeakPolarHBondContact CA-O 3.39Å; I177-A254 PolarHBondContact N-O 3.06Å; K190-A254 HydrophobicContact CD-CB 3.97Å; K190-A254 HydrophobicContact CG-CB 4.25Å; A254-Y497 WeakPolarHBondContact CB-OH 3.29Å
255	F	98.9	Very high	98.8	Very high	12 Å²	12	40.4 Å²	40.4	5%	0.053	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	132	-178.8	170.1	-91.4	0	0	0	110.4	I177 V261 V265 T278 L279 E280 L281	I177-F255 HydrophobicContact CB-CD2 3.86Å; I177-F255 HydrophobicContact CD1-CD2 4.5Å; I177-F255 HydrophobicContact CG2-CD2 3.72Å; I177-F255 HydrophobicContact CG2-CE2 3.96Å; F255-V261 HydrophobicContact CE1-CB 4.38Å; F255-V261 HydrophobicContact CE1-CG1 4.36Å; F255-V261 HydrophobicContact CE2-CB 4.32Å; F255-V261 HydrophobicContact CE2-CG1 3.56Å; F255-V261 HydrophobicContact CZ-CB 3.7Å; F255-V261 HydrophobicContact CZ-CG1 3.46Å; F255-V261 VanDerWaalsContact CZ-CG1 3.46Å; F255-V265 HydrophobicContact CB-CG1 4.11Å; F255-V265 HydrophobicContact CB-CG2 4.44Å; F255-V265 HydrophobicContact CD2-CG2 3.88Å; F255-V265 HydrophobicContact CE2-CG2 4.34Å; F255-V265 HydrophobicContact CG-CG2 4.08Å; F255-T278 PolarHBondContact N-O 3.5Å; F255-L279 HydrophobicContact CB-CD2 3.95Å; F255-L279 HydrophobicContact CD1-CD2 4.04Å; F255-L279 HydrophobicContact CG-CD2 4.42Å; F255-L279 WeakPolarHBondContact O-CA 2.94Å; F255-E280 PolarHBondContact O-N 3.18Å; F255-L281 HydrophobicContact CD1-CD2 3.74Å; F255-L281 HydrophobicContact CE1-CD2 3.6Å
256	T	98.9	Very high	98.8	Very high	10 Å²	10	44.4 Å²	44.4	6%	0.061	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	130.8	164.6	-57.6	0	0	0	0	109.5	I177 P179 M186 K190 E280	I177-T256 PolarHBondContact O-N 2.81Å; I177-T256 VanDerWaalsContact O-N 3.07Å; P179-T256 WeakPolarHBondContact CD-O 3.36Å; P179-T256 HydrophobicContact CG-CG2 3.81Å; M186-T256 HydrophobicContact SD-CG2 4.05Å; K190-T256 WeakPolarHBondContact CE-OG1 3.46Å; K190-T256 PolarHBondContact NZ-OG1 3.19Å; T256-E280 WeakPolarHBondContact CA-O 3.32Å; T256-E280 HydrophobicContact CG2-CB 3.91Å; T256-E280 WeakPolarHBondContact CG2-O 3.18Å; T256-E280 WeakPolarHBondContact OG1-CB 3.47Å
257	G	98.4	Very high	98.8	Very high	22 Å²	22	46.1 Å²	46.1	23%	0.227	24%	0.242	C	C	.	.	S	Bend	trans	162.2	-152.1	-179.1	0	0	0	0	0	113	E280 L281	G257-E280 PolarHBondContact N-O 3.24Å; G257-E280 VanDerWaalsContact N-O 3.09Å; G257-L281 WeakPolarHBondContact O-CA 3.45Å
258	S	98.3	Very high	98.8	Very high	53 Å²	53	46.3 Å²	46.3	37%	0.371	25%	0.245	S	C	.	.			trans	-70.4	148.6	-176.9	73.2	0	0	0	0	112.4	E260 V261 G262	S258-E260 PolarHBondContact O-N 3.44Å; S258-V261 PolarHBondContact O-N 2.74Å; S258-V261 WeakPolarHBondContact OG-CG2 3.07Å; S258-V261 PolarHBondContact OG-N 2.86Å; S258-G262 PolarHBondContact O-N 2.82Å
259	T	98.4	Very high	98.8	Very high	11 Å²	11	42.3 Å²	42.3	7%	0.067	22%	0.219	C	C	.	.	H	α-helix	trans	-57.6	-37.8	177.3	-49.9	0	0	0	0	112.7	G262 K263 L281 Y437 M482	T259-G262 PolarHBondContact O-N 3.31Å; T259-K263 WeakPolarHBondContact O-CG 3.48Å; T259-K263 PolarHBondContact O-N 3.45Å; T259-K263 VanDerWaalsContact O-N 3.13Å; T259-L281 HydrophobicContact CG2-CD1 4.31Å; T259-Y437 HydrophobicContact CG2-CE1 4.05Å; T259-Y437 VanDerWaalsContact OG1-CE1 3.31Å; T259-Y437 WeakPolarHBondContact OG1-CE1 3.23Å; T259-M482 HydrophobicContact CG2-CB 4.23Å; T259-M482 HydrophobicContact CG2-CE 3.7Å
260	E	98.3	Very high	98.8	Very high	149 Å²	149	41.6 Å²	41.6	70%	0.696	22%	0.223	S	C	*	.	H	α-helix	trans	-61.6	-49.6	177.1	-175.3	177.3	-179.4	0	0	111.7	S258 G262 K263 L264	S258-E260 PolarHBondContact O-N 3.44Å; E260-G262 VanDerWaalsContact C-N 3.34Å; E260-G262 PolarHBondContact O-N 3.24Å; E260-K263 WeakPolarHBondContact O-CB 3.37Å; E260-K263 PolarHBondContact O-N 2.94Å; E260-L264 PolarHBondContact O-N 2.88Å
261	V	98.7	Very high	98.8	Very high	59 Å²	59	49.2 Å²	49.2	36%	0.358	25%	0.252	S	S	.	.	H	α-helix	trans	-69.8	-33.9	178.2	177.9	0	0	0	0	111	F255 S258 K263 L264 V265	F255-V261 HydrophobicContact CE1-CB 4.38Å; F255-V261 HydrophobicContact CE1-CG1 4.36Å; F255-V261 HydrophobicContact CE2-CB 4.32Å; F255-V261 HydrophobicContact CE2-CG1 3.56Å; F255-V261 HydrophobicContact CZ-CB 3.7Å; F255-V261 HydrophobicContact CZ-CG1 3.46Å; F255-V261 VanDerWaalsContact CZ-CG1 3.46Å; S258-V261 PolarHBondContact O-N 2.74Å; S258-V261 WeakPolarHBondContact OG-CG2 3.07Å; S258-V261 PolarHBondContact OG-N 2.86Å; V261-K263 VanDerWaalsContact C-N 3.28Å; V261-K263 PolarHBondContact O-N 3.02Å; V261-L264 WeakPolarHBondContact O-CB 3.36Å; V261-L264 PolarHBondContact O-N 3.3Å; V261-L264 VanDerWaalsContact O-N 3.08Å; V261-V265 HydrophobicContact CG1-CG2 4.22Å; V261-V265 WeakPolarHBondContact O-CG2 3.34Å; V261-V265 PolarHBondContact O-N 3.08Å
262	G	98.8	Very high	98.7	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-56.4	-39.9	173.4	0	0	0	0	0	113.1	S258 T259 E260 V265 K266	S258-G262 PolarHBondContact O-N 2.82Å; T259-G262 PolarHBondContact O-N 3.31Å; E260-G262 VanDerWaalsContact C-N 3.34Å; E260-G262 PolarHBondContact O-N 3.24Å; G262-V265 PolarHBondContact O-N 3.1Å; G262-K266 PolarHBondContact O-N 2.91Å
263	K	98.9	Very high	98.7	Very high	125 Å²	125	50.7 Å²	50.7	54%	0.543	26%	0.263	S	S	.	.	H	α-helix	trans	-62.3	-46.7	173	-69.3	176.7	-179.9	-177	0	111.5	T259 E260 V261 V265 K266 E267	T259-K263 WeakPolarHBondContact O-CG 3.48Å; T259-K263 PolarHBondContact O-N 3.45Å; T259-K263 VanDerWaalsContact O-N 3.13Å; E260-K263 WeakPolarHBondContact O-CB 3.37Å; E260-K263 PolarHBondContact O-N 2.94Å; V261-K263 VanDerWaalsContact C-N 3.28Å; V261-K263 PolarHBondContact O-N 3.02Å; K263-V265 VanDerWaalsContact C-N 3.35Å; K263-V265 PolarHBondContact O-N 3.38Å; K263-K266 PolarHBondContact O-N 2.96Å; K263-E267 VanDerWaalsContact O-CB 3.32Å; K263-E267 WeakPolarHBondContact O-CB 3.34Å; K263-E267 PolarHBondContact O-N 2.79Å
264	L	98.9	Very high	98.7	Very high	96 Å²	96	57.3 Å²	57.3	50%	0.503	30%	0.298	S	S	.	.	H	α-helix	trans	-62.1	-41.4	178.7	-61.7	176.7	0	0	0	112	E260 V261 E267 A268	E260-L264 PolarHBondContact O-N 2.88Å; V261-L264 WeakPolarHBondContact O-CB 3.36Å; V261-L264 PolarHBondContact O-N 3.3Å; V261-L264 VanDerWaalsContact O-N 3.08Å; L264-E267 PolarHBondContact O-N 2.95Å; L264-A268 VanDerWaalsContact O-CB 3.29Å; L264-A268 WeakPolarHBondContact O-CB 3.43Å; L264-A268 PolarHBondContact O-N 3.38Å
265	V	98.9	Very high	98.7	Very high	6 Å²	6	57.7 Å²	57.7	4%	0.036	30%	0.3	C	S	.	.	H	α-helix	trans	-61.7	-47.8	176.5	168.4	0	0	0	0	110.8	I253 F255 V261 G262 K263 E267 A268 A269 L279	I253-V265 HydrophobicContact CD1-CG1 3.85Å; I253-V265 HydrophobicContact CG1-CG1 4.28Å; I253-V265 HydrophobicContact CG2-CG1 4.01Å; F255-V265 HydrophobicContact CB-CG1 4.11Å; F255-V265 HydrophobicContact CB-CG2 4.44Å; F255-V265 HydrophobicContact CD2-CG2 3.88Å; F255-V265 HydrophobicContact CE2-CG2 4.34Å; F255-V265 HydrophobicContact CG-CG2 4.08Å; V261-V265 HydrophobicContact CG1-CG2 4.22Å; V261-V265 WeakPolarHBondContact O-CG2 3.34Å; V261-V265 PolarHBondContact O-N 3.08Å; G262-V265 PolarHBondContact O-N 3.1Å; K263-V265 VanDerWaalsContact C-N 3.35Å; K263-V265 PolarHBondContact O-N 3.38Å; V265-E267 VanDerWaalsContact C-N 3.35Å; V265-E267 PolarHBondContact O-N 2.68Å; V265-A268 PolarHBondContact O-N 2.92Å; V265-A269 WeakPolarHBondContact O-CB 3.48Å; V265-A269 PolarHBondContact O-N 2.84Å; V265-L279 HydrophobicContact CG1-CD2 4.39Å
266	K	98.9	Very high	98.7	Very high	91 Å²	91	60.3 Å²	60.3	40%	0.396	31%	0.309	S	S	.	.	H	α-helix	trans	-63.4	-42	178.6	-168.7	171.8	-175.8	174.4	0	111.7	G262 K263 A269 S270 V277 L279 N485	G262-K266 PolarHBondContact O-N 2.91Å; K263-K266 PolarHBondContact O-N 2.96Å; K266-A269 PolarHBondContact O-N 3.47Å; K266-S270 PolarHBondContact O-N 2.96Å; K266-S270 PolarHBondContact O-OG 3.47Å; K266-V277 HydrophobicContact CB-CG1 4.36Å; K266-V277 HydrophobicContact CG-CG1 4.44Å; K266-L279 HydrophobicContact CB-CD1 4.27Å; K266-L279 HydrophobicContact CD-CD1 4.19Å; K266-N485 PolarHBondContact NZ-OD1 3.39Å
267	E	98.9	Very high	98.7	Very high	90 Å²	90	61.2 Å²	61.2	42%	0.421	32%	0.315	S	S	.	.	H	α-helix	trans	-65.1	-43.3	177.4	-166.2	-163.3	-169.3	0	0	112.2	K263 L264 V265 S270 R271	K263-E267 VanDerWaalsContact O-CB 3.32Å; K263-E267 WeakPolarHBondContact O-CB 3.34Å; K263-E267 PolarHBondContact O-N 2.79Å; L264-E267 PolarHBondContact O-N 2.95Å; V265-E267 VanDerWaalsContact C-N 3.35Å; V265-E267 PolarHBondContact O-N 2.68Å; E267-S270 PolarHBondContact O-N 3.49Å; E267-R271 VanDerWaalsContact CG-CZ 3.5Å; E267-R271 WeakPolarHBondContact O-CG 3.47Å; E267-R271 PolarHBondContact O-N 2.58Å; E267-R271 IonicContact OE1-CZ 2.92Å; E267-R271 IonicContact OE1-NH1 3.15Å; E267-R271 PolarHBondContact OE1-NH1 3.42Å; E267-R271 IonicContact OE1-NH2 2.84Å; E267-R271 IonicContact OE2-CZ 2.68Å; E267-R271 IonicContact OE2-NH1 3.67Å; E267-R271 PolarHBondContact OE2-NH1 2.92Å; E267-R271 IonicContact OE2-NH2 3.72Å; E267-R271 PolarHBondContact OE2-NH2 3.41Å
268	A	98.8	Very high	98.8	Very high	14 Å²	14	60.6 Å²	60.6	12%	0.116	31%	0.306	C	S	.	.	H	α-helix	trans	-62.9	-41.6	175.6	0	0	0	0	0	112.2	S245 L264 V265 R271 S272	S245-A268 WeakPolarHBondContact OG-CB 3.39Å; L264-A268 VanDerWaalsContact O-CB 3.29Å; L264-A268 WeakPolarHBondContact O-CB 3.43Å; L264-A268 PolarHBondContact O-N 3.38Å; V265-A268 PolarHBondContact O-N 2.92Å; A268-R271 PolarHBondContact O-N 3.3Å; A268-S272 WeakPolarHBondContact O-CB 3.48Å; A268-S272 PolarHBondContact O-N 3.48Å; A268-S272 VanDerWaalsContact O-N 3.12Å; A268-S272 PolarHBondContact O-OG 2.9Å
269	A	98.8	Very high	98.8	Very high	1 Å²	1	58.3 Å²	58.3	1%	0.008	29%	0.29	C	S	.	.	H	α-helix	trans	-59.9	-46.3	172.9	0	0	0	0	0	111.6	I253 V265 K266 R271 S272 N273 L274 K275 V277	I253-A269 HydrophobicContact CG2-CB 4.48Å; V265-A269 WeakPolarHBondContact O-CB 3.48Å; V265-A269 PolarHBondContact O-N 2.84Å; K266-A269 PolarHBondContact O-N 3.47Å; A269-R271 PolarHBondContact O-N 3.27Å; A269-S272 PolarHBondContact O-N 2.91Å; A269-S272 PolarHBondContact O-OG 3.48Å; A269-N273 PolarHBondContact O-N 2.86Å; A269-L274 WeakPolarHBondContact O-CA 3.32Å; A269-L274 PolarHBondContact O-N 2.97Å; A269-K275 HydrophobicContact CB-CD 4.05Å; A269-K275 HydrophobicContact CB-CG 3.47Å; A269-K275 VanDerWaalsContact CB-CG 3.47Å; A269-V277 HydrophobicContact CB-CG2 3.38Å
270	S	98.8	Very high	98.8	Very high	66 Å²	66	58.2 Å²	58.2	46%	0.462	29%	0.289	S	S	.	.	H	α-helix	trans	-61.6	-42.8	178.2	-63.6	0	0	0	0	112.9	K266 E267 L274	K266-S270 PolarHBondContact O-N 2.96Å; K266-S270 PolarHBondContact O-OG 3.47Å; E267-S270 PolarHBondContact O-N 3.49Å; S270-L274 WeakPolarHBondContact O-CD2 3.49Å
271	R	98.8	Very high	98.8	Very high	161 Å²	161	51.6 Å²	51.6	61%	0.608	26%	0.258	S	S	*	.	H	α-helix	trans	-72.4	-26.1	-179.1	-76	-172.2	-68.1	-118	-13.4	114.5	E267 A268 A269	E267-R271 VanDerWaalsContact CG-CZ 3.5Å; E267-R271 WeakPolarHBondContact O-CG 3.47Å; E267-R271 PolarHBondContact O-N 2.58Å; E267-R271 IonicContact OE1-CZ 2.92Å; E267-R271 IonicContact OE1-NH1 3.15Å; E267-R271 PolarHBondContact OE1-NH1 3.42Å; E267-R271 IonicContact OE1-NH2 2.84Å; E267-R271 IonicContact OE2-CZ 2.68Å; E267-R271 IonicContact OE2-NH1 3.67Å; E267-R271 PolarHBondContact OE2-NH1 2.92Å; E267-R271 IonicContact OE2-NH2 3.72Å; E267-R271 PolarHBondContact OE2-NH2 3.41Å; A268-R271 PolarHBondContact O-N 3.3Å; A269-R271 PolarHBondContact O-N 3.27Å
272	S	98.6	Very high	98.5	Very high	47 Å²	47	48.9 Å²	48.9	33%	0.329	24%	0.242	S	C	.	.	H	α-helix	trans	-88.6	-76.7	-171.8	48	0	0	0	0	111.8	S246 A268 A269 K275	S246-S272 WeakPolarHBondContact O-CB 3.42Å; A268-S272 WeakPolarHBondContact O-CB 3.48Å; A268-S272 PolarHBondContact O-N 3.48Å; A268-S272 VanDerWaalsContact O-N 3.12Å; A268-S272 PolarHBondContact O-OG 2.9Å; A269-S272 PolarHBondContact O-N 2.91Å; A269-S272 PolarHBondContact O-OG 3.48Å; S272-K275 PolarHBondContact OG-NZ 2.9Å
273	N	98.7	Very high	98.3	Very high	50 Å²	50	49 Å²	49	27%	0.267	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-137.9	14.9	-171.9	70.6	-19.6	0	0	0	113.3	P248 V250 A269 K275	P248-N273 VanDerWaalsContact C-ND2 3.31Å; P248-N273 PolarHBondContact O-ND2 2.97Å; V250-N273 PolarHBondContact O-ND2 3.2Å; A269-N273 PolarHBondContact O-N 2.86Å; N273-K275 PolarHBondContact O-N 2.84Å; N273-K275 VanDerWaalsContact O-N 3.15Å; N273-K275 VanDerWaalsContact OD1-CB 3.23Å; N273-K275 WeakPolarHBondContact OD1-CB 3.09Å; N273-K275 VanDerWaalsContact OD1-CE 3.22Å; N273-K275 WeakPolarHBondContact OD1-CE 3.37Å; N273-K275 WeakPolarHBondContact OD1-CG 3.24Å; N273-K275 PolarHBondContact OD1-N 3.4Å; N273-K275 VanDerWaalsContact OD1-N 3.12Å; N273-K275 PolarHBondContact OD1-NZ 2.56Å
274	L	98.8	Very high	98.3	Very high	139 Å²	139	43 Å²	43	73%	0.728	22%	0.217	S	C	*	.			trans	55.4	29.2	-176.5	-58.7	171.6	0	0	0	113.3	A269 S270	A269-L274 WeakPolarHBondContact O-CA 3.32Å; A269-L274 PolarHBondContact O-N 2.97Å; S270-L274 WeakPolarHBondContact O-CD2 3.49Å
275	K	98.9	Very high	98.3	Very high	10 Å²	10	38.6 Å²	38.6	4%	0.043	19%	0.194	C	C	.	.			trans	-51.6	144.5	174.7	62.3	-179.8	67.5	64.5	0	110.9	S245 H247 V250 N251 I253 A269 S272 N273 V277	S245-K275 WeakPolarHBondContact O-CE 3.21Å; S245-K275 PolarHBondContact O-NZ 3.49Å; H247-K275 WeakPolarHBondContact O-CE 3.49Å; H247-K275 PolarHBondContact O-NZ 3.31Å; V250-K275 HydrophobicContact CB-CD 4.5Å; V250-K275 HydrophobicContact CG1-CD 4.12Å; V250-K275 WeakPolarHBondContact O-CB 3.49Å; V250-K275 WeakPolarHBondContact O-CE 3.28Å; N251-K275 WeakPolarHBondContact O-CA 3.47Å; N251-K275 WeakPolarHBondContact O-CB 3.49Å; I253-K275 HydrophobicContact CB-CD 4.19Å; I253-K275 HydrophobicContact CG2-CD 4.01Å; I253-K275 HydrophobicContact CG2-CG 4.38Å; A269-K275 HydrophobicContact CB-CD 4.05Å; A269-K275 HydrophobicContact CB-CG 3.47Å; A269-K275 VanDerWaalsContact CB-CG 3.47Å; S272-K275 PolarHBondContact OG-NZ 2.9Å; N273-K275 PolarHBondContact O-N 2.84Å; N273-K275 VanDerWaalsContact O-N 3.15Å; N273-K275 VanDerWaalsContact OD1-CB 3.23Å; N273-K275 WeakPolarHBondContact OD1-CB 3.09Å; N273-K275 VanDerWaalsContact OD1-CE 3.22Å; N273-K275 WeakPolarHBondContact OD1-CE 3.37Å; N273-K275 WeakPolarHBondContact OD1-CG 3.24Å; N273-K275 PolarHBondContact OD1-N 3.4Å; N273-K275 VanDerWaalsContact OD1-N 3.12Å; N273-K275 PolarHBondContact OD1-NZ 2.56Å; K275-V277 WeakPolarHBondContact O-CG2 3.06Å
276	R	98.9	Very high	98.3	Very high	66 Å²	66	38.5 Å²	38.5	25%	0.249	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63	143.9	177	-70.3	175.8	59.9	-174.4	-4.3	110.2	I171 N251 K252 I253 A495 E496 T498 E499	I171-R276 VanDerWaalsContact CD1-NH1 3.26Å; N251-R276 PolarHBondContact O-N 3.14Å; N251-R276 VanDerWaalsContact O-N 3.07Å; K252-R276 CarbonylContact C-O 3.59Å; K252-R276 VanDerWaalsContact CA-O 3.26Å; K252-R276 WeakPolarHBondContact CA-O 3.35Å; K252-R276 HydrophobicContact CB-CB 4.18Å; K252-R276 HydrophobicContact CG-CB 4.21Å; I253-R276 PolarHBondContact N-O 3.16Å; R276-A495 PolarHBondContact NH2-O 2.95Å; R276-E496 IonicContact NH2-OE2 3.77Å; R276-T498 PolarHBondContact NH1-O 2.94Å; R276-E499 WeakPolarHBondContact CD-OE1 3.13Å; R276-E499 IonicContact CZ-OE1 3.98Å; R276-E499 IonicContact NE-OE1 3.55Å; R276-E499 IonicContact NH1-OE1 2.68Å; R276-E499 PolarHBondContact NH1-OE1 3.22Å
277	V	98.9	Very high	98.3	Very high	30 Å²	30	34.1 Å²	34.1	18%	0.182	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	128.2	-175.7	-173.4	0	0	0	0	109.7	I253 K266 A269 K275 L279	I253-V277 HydrophobicContact CG2-CB 4.28Å; I253-V277 HydrophobicContact CG2-CG1 4.09Å; I253-V277 HydrophobicContact CG2-CG2 3.88Å; I253-V277 WeakPolarHBondContact O-CA 3.31Å; K266-V277 HydrophobicContact CB-CG1 4.36Å; K266-V277 HydrophobicContact CG-CG1 4.44Å; A269-V277 HydrophobicContact CB-CG2 3.38Å; K275-V277 WeakPolarHBondContact O-CG2 3.06Å; V277-L279 HydrophobicContact CG1-CD1 4.4Å; V277-L279 HydrophobicContact CG1-CD2 3.64Å; V277-L279 HydrophobicContact CG1-CG 3.82Å
278	T	98.9	Very high	98.3	Very high	8 Å²	8	29.9 Å²	29.9	5%	0.049	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	140	162.4	44.9	0	0	0	0	110.1	K252 I253 F255 N485 E496	K252-T278 PolarHBondContact NZ-OG1 3.19Å; I253-T278 PolarHBondContact O-N 3.07Å; F255-T278 PolarHBondContact N-O 3.5Å; T278-N485 VanDerWaalsContact CA-O 3.27Å; T278-N485 WeakPolarHBondContact CA-O 3.36Å; T278-N485 WeakPolarHBondContact CB-O 3.14Å; T278-E496 HydrophobicContact CG2-CB 3.97Å; T278-E496 HydrophobicContact CG2-CG 3.79Å; T278-E496 WeakPolarHBondContact CG2-OE2 3.48Å
279	L	98.9	Very high	98.3	Very high	6 Å²	6	29.2 Å²	29.2	3%	0.031	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	129	-173.2	-58.9	175.5	0	0	0	109.4	F255 V265 K266 V277 L281 G484 N485	F255-L279 HydrophobicContact CB-CD2 3.95Å; F255-L279 HydrophobicContact CD1-CD2 4.04Å; F255-L279 HydrophobicContact CG-CD2 4.42Å; F255-L279 WeakPolarHBondContact O-CA 2.94Å; V265-L279 HydrophobicContact CG1-CD2 4.39Å; K266-L279 HydrophobicContact CB-CD1 4.27Å; K266-L279 HydrophobicContact CD-CD1 4.19Å; V277-L279 HydrophobicContact CG1-CD1 4.4Å; V277-L279 HydrophobicContact CG1-CD2 3.64Å; V277-L279 HydrophobicContact CG1-CG 3.82Å; L279-L281 HydrophobicContact CB-CD1 4.03Å; L279-L281 HydrophobicContact CB-CD2 4.15Å; L279-L281 HydrophobicContact CB-CG 3.97Å; L279-L281 HydrophobicContact CD1-CD1 4.19Å; L279-G484 CarbonylContact O-C 3.58Å; L279-G484 WeakPolarHBondContact O-CA 3.48Å; L279-N485 PolarHBondContact N-O 2.94Å; L279-N485 PolarHBondContact O-N 3.12Å
280	E	98.8	Very high	98.3	Very high	8 Å²	8	29.2 Å²	29.2	4%	0.037	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	110.1	167.1	-74.8	-59.5	141.3	0	0	108.3	F255 T256 G257 G478 E488	F255-E280 PolarHBondContact O-N 3.18Å; T256-E280 WeakPolarHBondContact CA-O 3.32Å; T256-E280 HydrophobicContact CG2-CB 3.91Å; T256-E280 WeakPolarHBondContact CG2-O 3.18Å; T256-E280 WeakPolarHBondContact OG1-CB 3.47Å; G257-E280 PolarHBondContact N-O 3.24Å; G257-E280 VanDerWaalsContact N-O 3.09Å; E280-G478 VanDerWaalsContact CD-CA 3.48Å; E280-G478 WeakPolarHBondContact OE1-CA 3.1Å; E280-G478 VanDerWaalsContact OE2-CA 3.31Å; E280-G478 WeakPolarHBondContact OE2-CA 3.4Å; E280-E488 HydrophobicContact CG-CG 4.12Å
281	L	98.6	Very high	98.3	Very high	10 Å²	10	27.8 Å²	27.8	5%	0.052	14%	0.141	C	C	.	.			trans	-118.9	-171.5	-165	-52.2	173.8	0	0	0	111.7	F255 G257 T259 L279 M482 S483	F255-L281 HydrophobicContact CD1-CD2 3.74Å; F255-L281 HydrophobicContact CE1-CD2 3.6Å; G257-L281 WeakPolarHBondContact O-CA 3.45Å; T259-L281 HydrophobicContact CG2-CD1 4.31Å; L279-L281 HydrophobicContact CB-CD1 4.03Å; L279-L281 HydrophobicContact CB-CD2 4.15Å; L279-L281 HydrophobicContact CB-CG 3.97Å; L279-L281 HydrophobicContact CD1-CD1 4.19Å; L281-M482 WeakPolarHBondContact CD1-O 3.42Å; L281-S483 WeakPolarHBondContact CA-O 3.5Å; L281-S483 WeakPolarHBondContact CB-O 3.49Å; L281-S483 PolarHBondContact N-O 2.83Å
282	G	91.8	Very high	98.3	Very high	3 Å²	3	22.4 Å²	22.4	3%	0.031	12%	0.124	C	C	.	.			trans	-68.8	172.4	-179.7	0	0	0	0	0	113.9	E411 Y437 S483	G282-E411 WeakPolarHBondContact CA-OE1 3.23Å; G282-E411 WeakPolarHBondContact CA-OE2 3.3Å; G282-Y437 VanDerWaalsContact O-CD1 3.32Å; G282-Y437 WeakPolarHBondContact O-CD1 3.34Å; G282-S483 WeakPolarHBondContact O-CB 3.37Å; G282-S483 PolarHBondContact O-OG 3.38Å
283	G	94.9	Very high	98.3	Very high	1 Å²	1	20.8 Å²	20.8	1%	0.01	11%	0.114	C	C	.	.			trans	-144.4	160.8	-178.7	0	0	0	0	0	114.2	E411	G283-E411 PolarHBondContact N-OE1 3.31Å
284	K	98.1	Very high	98.3	Very high	1 Å²	1	21.5 Å²	21.5	0%	0.004	12%	0.118	C	C	.	.			trans	-125.3	57.3	163.8	-163	74.4	-162.2	178.3	0	110.2	S318 R319 I407 A408 E410 Y437	K284-S318 WeakPolarHBondContact CA-OG 3.37Å; K284-S318 WeakPolarHBondContact CD-OG 3.48Å; K284-S318 WeakPolarHBondContact CE-O 3.11Å; K284-S318 WeakPolarHBondContact CE-OG 3.26Å; K284-S318 PolarHBondContact NZ-O 3.27Å; K284-R319 HydrophobicContact CD-CG 4.42Å; K284-R319 HydrophobicContact CG-CG 3.92Å; K284-R319 PolarHBondContact O-NE 3.39Å; K284-R319 PolarHBondContact O-NH2 3.38Å; K284-I407 WeakPolarHBondContact CE-O 3.11Å; K284-I407 PolarHBondContact NZ-O 2.56Å; K284-A408 VanDerWaalsContact CE-C 3.44Å; K284-A408 WeakPolarHBondContact CE-O 3.24Å; K284-A408 WeakPolarHBondContact CG-O 3.25Å; K284-E410 WeakPolarHBondContact CD-O 3.37Å; K284-E410 PolarHBondContact NZ-O 2.66Å; K284-Y437 HydrophobicContact CB-CD2 3.94Å
285	N	98.8	Very high	98.3	Very high	2 Å²	2	16.1 Å²	16.1	1%	0.011	9%	0.09	C	C	.	.			trans	-63.8	123.3	-162.7	-52.4	-44.3	0	0	0	112.2	C314 T315 A316 A317 S318 R319 L439 T440	N285-C314 PolarHBondContact ND2-O 3.27Å; N285-T315 VanDerWaalsContact ND2-CA 3.34Å; N285-T315 WeakPolarHBondContact ND2-CA 3.3Å; N285-T315 PolarHBondContact ND2-O 3.1Å; N285-A316 WeakPolarHBondContact CB-O 3.42Å; N285-A316 PolarHBondContact ND2-O 3.38Å; N285-A316 VanDerWaalsContact ND2-O 3.12Å; N285-A317 CarbonylContact O-C 3.55Å; N285-S318 PolarHBondContact N-OG 3.15Å; N285-S318 PolarHBondContact O-N 3.38Å; N285-R319 PolarHBondContact O-N 2.76Å; N285-L439 WeakPolarHBondContact OD1-CB 3.43Å; N285-T440 WeakPolarHBondContact CA-O 3.42Å; N285-T440 WeakPolarHBondContact CB-O 3.47Å; N285-T440 WeakPolarHBondContact CB-OG1 3.46Å; N285-T440 PolarHBondContact ND2-OG1 3.32Å; N285-T440 PolarHBondContact OD1-N 3.11Å; N285-T440 VanDerWaalsContact OD1-N 3.08Å; N285-T440 PolarHBondContact OD1-O 3.36Å
286	P	98.8	Very high	98.2	Very high	4 Å²	4	19.6 Å²	19.6	3%	0.026	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	139.5	176.9	31.3	-32.4	0	0	0	111.4	R319 F321 A432 T440 A441 A442	P286-R319 CarbonylContact C-O 3.52Å; P286-R319 WeakPolarHBondContact CA-O 3.27Å; P286-F321 HydrophobicContact CB-CD2 4.05Å; P286-F321 HydrophobicContact CB-CE2 3.85Å; P286-A432 HydrophobicContact CB-CB 3.84Å; P286-A432 HydrophobicContact CG-CB 3.89Å; P286-T440 WeakPolarHBondContact CD-O 3.43Å; P286-A441 HydrophobicContact CG-CB 3.83Å; P286-A441 CarbonylContact O-C 3.4Å; P286-A441 VanDerWaalsContact O-CA 3.24Å; P286-A441 WeakPolarHBondContact O-CA 3.32Å; P286-A442 PolarHBondContact O-N 2.95Å
287	C	98.9	Very high	98.2	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	107.5	169.8	177.7	0	0	0	0	108.1	A317 R319 V320 F321 Y468	C287-A317 HydrophobicContact CB-CB 3.99Å; C287-R319 PolarHBondContact N-O 2.96Å; C287-V320 HydrophobicContact CB-CG2 4.33Å; C287-V320 CarbonylContact O-C 3.5Å; C287-V320 WeakPolarHBondContact O-CA 3.47Å; C287-F321 PolarHBondContact O-N 3.32Å; C287-Y468 HydrophobicContact CB-CE2 4.13Å
288	I	98.9	Very high	98.2	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	124.1	-173.9	-57.2	174.6	0	0	0	109.2	F321 F422 V428 A432 A442 V443 F444 L454 L458	I288-F321 CarbonylContact C-O 3.44Å; I288-F321 WeakPolarHBondContact CA-O 3.46Å; I288-F321 HydrophobicContact CG1-CB 4.41Å; I288-F422 HydrophobicContact CG2-CE1 4Å; I288-F422 HydrophobicContact CG2-CZ 3.96Å; I288-V428 HydrophobicContact CD1-CG1 4.21Å; I288-V428 HydrophobicContact CD1-CG2 3.85Å; I288-V428 HydrophobicContact CG1-CG2 3.87Å; I288-V428 HydrophobicContact CG2-CG1 4.11Å; I288-V428 HydrophobicContact CG2-CG2 4.05Å; I288-A432 HydrophobicContact CD1-CB 4.14Å; I288-A442 PolarHBondContact N-O 2.97Å; I288-V443 CarbonylContact O-C 3.58Å; I288-V443 WeakPolarHBondContact O-CA 3.39Å; I288-F444 PolarHBondContact O-N 3.37Å; I288-L454 HydrophobicContact CD1-CD2 4.01Å; I288-L454 HydrophobicContact CG2-CD1 4.29Å; I288-L458 HydrophobicContact CD1-CD1 4.15Å; I288-L458 HydrophobicContact CD1-CD2 3.96Å
289	V	98.9	Very high	98.2	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	106.8	178.9	-176.5	0	0	0	0	108.8	A293 A298 V320 F321 V322 E323 F330 F422 F444	V289-A293 HydrophobicContact CG1-CB 4.02Å; V289-A298 HydrophobicContact CG1-CB 3.8Å; V289-A298 HydrophobicContact CG2-CB 4.24Å; V289-V320 HydrophobicContact CG2-CG1 4.46Å; V289-F321 PolarHBondContact N-O 2.85Å; V289-V322 HydrophobicContact CB-CG1 4.31Å; V289-V322 HydrophobicContact CB-CG2 4.28Å; V289-V322 HydrophobicContact CG1-CG1 4.43Å; V289-E323 PolarHBondContact O-N 3.04Å; V289-F330 HydrophobicContact CB-CE2 4.46Å; V289-F330 HydrophobicContact CG1-CD2 4.18Å; V289-F330 HydrophobicContact CG1-CE2 4.2Å; V289-F330 HydrophobicContact CG2-CE2 3.89Å; V289-F330 HydrophobicContact CG2-CZ 4.25Å; V289-F422 WeakPolarHBondContact O-CE1 3.37Å; V289-F444 HydrophobicContact CG1-CB 4.45Å; V289-F444 HydrophobicContact CG2-CB 4.43Å; V289-F444 HydrophobicContact CG2-CD2 4.15Å
290	C	98.9	Very high	98.2	Very high	1 Å²	1	21.9 Å²	21.9	1%	0.007	12%	0.121	C	C	.	.			trans	-77	157.4	175	-66.2	0	0	0	0	111.3	D292 A293 E323 F444 K450	C290-D292 WeakPolarHBondContact CB-OD1 3.31Å; C290-D292 PolarHBondContact O-N 2.97Å; C290-A293 WeakPolarHBondContact O-CB 3.2Å; C290-A293 PolarHBondContact O-N 2.91Å; C290-E323 WeakPolarHBondContact CA-OE2 3.13Å; C290-F444 WeakPolarHBondContact CB-O 3.39Å; C290-F444 PolarHBondContact N-O 2.83Å; C290-K450 HydrophobicContact CB-CD 4.45Å
291	A	98.8	Very high	98.2	Very high	36 Å²	36	22.7 Å²	22.7	30%	0.298	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-23.7	-179	0	0	0	0	0	113.9	E323 Q325 V326	A291-E323 HydrophobicContact CB-CB 4.14Å; A291-E323 HydrophobicContact CB-CG 4.41Å; A291-E323 WeakPolarHBondContact CB-OE2 3.38Å; A291-E323 PolarHBondContact N-OE2 3.24Å; A291-Q325 HydrophobicContact CB-CB 4.04Å; A291-V326 HydrophobicContact CB-CG1 4.17Å; A291-V326 HydrophobicContact CB-CG2 4.47Å
292	D	98.7	Very high	98.2	Very high	48 Å²	48	22.2 Å²	22.2	26%	0.257	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	6.9	177.3	57.6	18.3	0	0	0	113.4	C290 T445 K446 N447 K450	C290-D292 WeakPolarHBondContact CB-OD1 3.31Å; C290-D292 PolarHBondContact O-N 2.97Å; D292-T445 VanDerWaalsContact CG-OG1 3.27Å; D292-T445 WeakPolarHBondContact OD1-CA 2.94Å; D292-T445 WeakPolarHBondContact OD1-CB 3.35Å; D292-T445 PolarHBondContact OD1-OG1 3.3Å; D292-T445 PolarHBondContact OD2-OG1 2.97Å; D292-K446 WeakPolarHBondContact O-CB 3.36Å; D292-K446 WeakPolarHBondContact O-CD 3.46Å; D292-K446 VanDerWaalsContact O-CG 3.24Å; D292-K446 WeakPolarHBondContact O-CG 3.4Å; D292-K446 PolarHBondContact O-N 3.1Å; D292-N447 WeakPolarHBondContact OD2-CB 3.37Å; D292-K450 IonicContact OD1-NZ 3.64Å; D292-K450 IonicContact OD2-NZ 3.75Å; D292-K450 PolarHBondContact OD2-NZ 3.42Å
293	A	98.8	Very high	98.5	Very high	13 Å²	13	22.2 Å²	22.2	11%	0.107	12%	0.124	C	C	.	.	S	Bend	trans	-62.9	157	175	0	0	0	0	0	111.9	V289 C290 L295 A298 F444	V289-A293 HydrophobicContact CG1-CB 4.02Å; C290-A293 WeakPolarHBondContact O-CB 3.2Å; C290-A293 PolarHBondContact O-N 2.91Å; A293-L295 PolarHBondContact O-N 3.42Å; A293-A298 HydrophobicContact CB-CB 4.4Å; A293-F444 HydrophobicContact CB-CB 3.91Å
294	D	98.7	Very high	98.6	Very high	66 Å²	66	25.1 Å²	25.1	35%	0.353	14%	0.137	S	C	.	.			trans	-70	107.3	156.3	-169.2	-50	0	0	0	108.1	D296 L297 A298	D294-D296 PolarHBondContact O-N 2.91Å; D294-D296 PolarHBondContact OD1-N 3.29Å; D294-L297 HydrophobicContact CB-CB 3.96Å; D294-L297 PolarHBondContact OD1-N 3.19Å; D294-A298 VanDerWaalsContact O-CB 3.27Å; D294-A298 WeakPolarHBondContact O-CB 3.3Å; D294-A298 PolarHBondContact O-N 3.43Å
295	L	98.4	Very high	98.6	Very high	26 Å²	26	25.2 Å²	25.2	14%	0.136	14%	0.138	C	C	.	.	H	α-helix	trans	-69.9	-34.4	-169	-166.4	64.1	0	0	0	112.4	A293 A298 V299 V326 E329 F330	A293-L295 PolarHBondContact O-N 3.42Å; L295-A298 PolarHBondContact O-N 3.32Å; L295-V299 HydrophobicContact CG-CG2 4.45Å; L295-V299 WeakPolarHBondContact O-CB 3.39Å; L295-V299 WeakPolarHBondContact O-CG2 3.41Å; L295-V299 PolarHBondContact O-N 3.26Å; L295-V326 HydrophobicContact CD1-CB 4.36Å; L295-V326 HydrophobicContact CD1-CG2 4.38Å; L295-E329 HydrophobicContact CD2-CB 4.24Å; L295-E329 HydrophobicContact CD2-CG 3.6Å; L295-F330 HydrophobicContact CD1-CB 4.2Å; L295-F330 HydrophobicContact CD1-CD2 3.75Å; L295-F330 HydrophobicContact CD1-CG 4.48Å
296	D	98.5	Very high	98.6	Very high	82 Å²	82	25.2 Å²	25.2	44%	0.439	14%	0.139	S	C	.	.	H	α-helix	trans	-68.2	-46.7	178.4	-73.8	-47.9	0	0	0	110.5	D294 A298 V299 E300 R333	D294-D296 PolarHBondContact O-N 2.91Å; D294-D296 PolarHBondContact OD1-N 3.29Å; D296-A298 VanDerWaalsContact C-N 3.35Å; D296-A298 PolarHBondContact O-N 3.26Å; D296-V299 PolarHBondContact O-N 2.9Å; D296-E300 WeakPolarHBondContact O-CB 3.23Å; D296-E300 PolarHBondContact O-N 3.12Å; D296-R333 IonicContact OD1-CZ 3.42Å; D296-R333 IonicContact OD1-NH1 2.63Å; D296-R333 PolarHBondContact OD1-NH1 3.46Å; D296-R333 IonicContact OD2-NH1 3.1Å; D296-R333 PolarHBondContact OD2-NH1 3.46Å; D296-R333 VanDerWaalsContact OD2-NH1 3.1Å
297	L	98.7	Very high	98.6	Very high	62 Å²	62	25 Å²	25	33%	0.325	14%	0.137	S	C	.	.	H	α-helix	trans	-59.4	-45.6	173.6	178.2	64.9	0	0	0	111.8	D294 E300 C301 N466	D294-L297 HydrophobicContact CB-CB 3.96Å; D294-L297 PolarHBondContact OD1-N 3.19Å; L297-E300 PolarHBondContact O-N 2.92Å; L297-C301 VanDerWaalsContact CD1-SG 3.58Å; L297-C301 VanDerWaalsContact O-CB 3.25Å; L297-C301 WeakPolarHBondContact O-CB 3.39Å; L297-C301 PolarHBondContact O-N 3.15Å; L297-C301 PolarHBondContact O-SG 2.89Å; L297-N466 HydrophobicContact CD2-CB 4.4Å
298	A	98.8	Very high	98.6	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-63.7	-42.4	-178.7	0	0	0	0	0	111.9	V289 A293 D294 L295 D296 A302 F330 F444	V289-A298 HydrophobicContact CG1-CB 3.8Å; V289-A298 HydrophobicContact CG2-CB 4.24Å; A293-A298 HydrophobicContact CB-CB 4.4Å; D294-A298 VanDerWaalsContact O-CB 3.27Å; D294-A298 WeakPolarHBondContact O-CB 3.3Å; D294-A298 PolarHBondContact O-N 3.43Å; L295-A298 PolarHBondContact O-N 3.32Å; D296-A298 VanDerWaalsContact C-N 3.35Å; D296-A298 PolarHBondContact O-N 3.26Å; A298-A302 WeakPolarHBondContact O-CB 3.46Å; A298-A302 PolarHBondContact O-N 3.4Å; A298-F330 HydrophobicContact CB-CE2 4.34Å; A298-F444 HydrophobicContact CB-CB 3.93Å; A298-F444 HydrophobicContact CB-CD1 3.85Å; A298-F444 HydrophobicContact CB-CG 3.84Å
299	V	98.8	Very high	98.5	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-64.6	-48.1	176.6	169.5	0	0	0	0	110.7	L295 D296 H303 F330 R333 Y337	L295-V299 HydrophobicContact CG-CG2 4.45Å; L295-V299 WeakPolarHBondContact O-CB 3.39Å; L295-V299 WeakPolarHBondContact O-CG2 3.41Å; L295-V299 PolarHBondContact O-N 3.26Å; D296-V299 PolarHBondContact O-N 2.9Å; V299-H303 WeakPolarHBondContact O-CB 3.45Å; V299-H303 PolarHBondContact O-N 3.25Å; V299-F330 HydrophobicContact CB-CE2 4.35Å; V299-F330 HydrophobicContact CG2-CD2 3.49Å; V299-F330 VanDerWaalsContact CG2-CD2 3.49Å; V299-F330 HydrophobicContact CG2-CE2 3.58Å; V299-F330 HydrophobicContact CG2-CG 4.16Å; V299-F330 HydrophobicContact CG2-CZ 4.3Å; V299-R333 HydrophobicContact CB-CB 4.47Å; V299-R333 HydrophobicContact CG1-CB 3.97Å; V299-R333 HydrophobicContact CG2-CB 3.89Å; V299-Y337 HydrophobicContact CG1-CD2 3.66Å; V299-Y337 HydrophobicContact CG1-CE2 3.9Å; V299-Y337 HydrophobicContact CG1-CG 4.19Å
300	E	98.6	Very high	98.5	Very high	96 Å²	96	26.2 Å²	26.2	45%	0.449	14%	0.143	S	C	.	.	H	α-helix	trans	-62.9	-47.9	-179.4	-177.8	174.2	-153.3	0	0	111.8	D296 L297 H303 Q304 Y337	D296-E300 WeakPolarHBondContact O-CB 3.23Å; D296-E300 PolarHBondContact O-N 3.12Å; L297-E300 PolarHBondContact O-N 2.92Å; E300-H303 WeakPolarHBondContact O-CB 3.5Å; E300-H303 PolarHBondContact O-N 3.39Å; E300-Q304 PolarHBondContact O-N 3.34Å; E300-Y337 HydrophobicContact CB-CE1 4.11Å; E300-Y337 HydrophobicContact CG-CE1 4.21Å
301	C	98.6	Very high	98.5	Very high	25 Å²	25	26.2 Å²	26.2	17%	0.169	14%	0.143	C	C	.	.	H	α-helix	trans	-68.6	-39.1	-179.9	-73.8	0	0	0	0	112.2	L297 H303 G305 F444	L297-C301 VanDerWaalsContact CD1-SG 3.58Å; L297-C301 VanDerWaalsContact O-CB 3.25Å; L297-C301 WeakPolarHBondContact O-CB 3.39Å; L297-C301 PolarHBondContact O-N 3.15Å; L297-C301 PolarHBondContact O-SG 2.89Å; C301-H303 VanDerWaalsContact C-N 3.35Å; C301-G305 WeakPolarHBondContact O-CA 3.12Å; C301-G305 PolarHBondContact O-N 3.23Å; C301-F444 HydrophobicContact CB-CE1 3.63Å; C301-F444 HydrophobicContact CB-CZ 3.47Å; C301-F444 VanDerWaalsContact CB-CZ 3.47Å
302	A	98.6	Very high	98.5	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-68.3	-35.8	174.5	0	0	0	0	0	111.5	A298 G305 V306 V320 F330	A298-A302 WeakPolarHBondContact O-CB 3.46Å; A298-A302 PolarHBondContact O-N 3.4Å; A302-G305 PolarHBondContact O-N 3.25Å; A302-V306 WeakPolarHBondContact O-CG2 3.5Å; A302-V306 PolarHBondContact O-N 2.96Å; A302-V320 HydrophobicContact CB-CG1 4.42Å; A302-F330 HydrophobicContact CB-CZ 3.93Å
303	H	98.6	Very high	98.5	Very high	4 Å²	4	22.8 Å²	22.8	2%	0.019	12%	0.12	C	C	.	.	H	α-helix	trans	-60.8	-57.4	173.1	177.7	83.4	0	0	0	110.4	V299 E300 C301 G305 V306 F307	V299-H303 WeakPolarHBondContact O-CB 3.45Å; V299-H303 PolarHBondContact O-N 3.25Å; E300-H303 WeakPolarHBondContact O-CB 3.5Å; E300-H303 PolarHBondContact O-N 3.39Å; C301-H303 VanDerWaalsContact C-N 3.35Å; H303-G305 VanDerWaalsContact C-N 3.26Å; H303-G305 PolarHBondContact O-N 3Å; H303-V306 PolarHBondContact O-N 3.41Å; H303-V306 VanDerWaalsContact O-N 3.14Å; H303-F307 HydrophobicContact CB-CD2 4.5Å; H303-F307 AromaticContact CE1-CD2 3.32Å; H303-F307 WeakPolarHBondContact CE1-CD2 3.4Å; H303-F307 AromaticContact CE1-CE2 3.74Å; H303-F307 AromaticContact CG-CD2 3.8Å; H303-F307 AromaticContact ND1-CD2 3.22Å; H303-F307 WeakPolarHBondContact ND1-CD2 3.43Å; H303-F307 AromaticContact ND1-CE2 3.42Å; H303-F307 WeakPolarHBondContact ND1-CE2 3.41Å; H303-F307 AromaticContact NE2-CD2 3.94Å; H303-F307 WeakPolarHBondContact O-CD2 3.43Å; H303-F307 PolarHBondContact O-N 3.49Å
304	Q	97.6	Very high	98.4	Very high	62 Å²	62	23.2 Å²	23.2	29%	0.29	12%	0.122	S	C	.	.	H	α-helix	trans	-60.9	-38	176.3	-68.2	-65.9	-12.2	0	0	111.3	E300 V306 F307 F308 E352	E300-Q304 PolarHBondContact O-N 3.34Å; Q304-V306 VanDerWaalsContact C-N 3.26Å; Q304-V306 PolarHBondContact O-N 3.38Å; Q304-F307 PolarHBondContact O-N 3.44Å; Q304-F308 WeakPolarHBondContact O-CA 3.34Å; Q304-F308 WeakPolarHBondContact O-CB 3.44Å; Q304-F308 PolarHBondContact O-N 3.1Å; Q304-E352 PolarHBondContact NE2-OE2 2.82Å
305	G	97.7	Very high	98.4	Very high	2 Å²	2	20.2 Å²	20.2	2%	0.021	11%	0.106	C	C	.	.	H	α-helix	trans	-58.2	-33.2	176.1	0	0	0	0	0	113.9	C301 A302 H303 A316 A317 Y468	C301-G305 WeakPolarHBondContact O-CA 3.12Å; C301-G305 PolarHBondContact O-N 3.23Å; A302-G305 PolarHBondContact O-N 3.25Å; H303-G305 VanDerWaalsContact C-N 3.26Å; H303-G305 PolarHBondContact O-N 3Å; G305-A316 VanDerWaalsContact O-CA 3.32Å; G305-A316 WeakPolarHBondContact O-CA 3.37Å; G305-A317 PolarHBondContact O-N 3.36Å; G305-Y468 VanDerWaalsContact CA-CD1 3.48Å
306	V	98.4	Very high	98.4	Very high	3 Å²	3	19.6 Å²	19.6	2%	0.018	11%	0.105	C	C	.	.	H	α-helix	trans	-87.2	-47.5	174.3	176.2	0	0	0	0	112.6	A302 H303 Q304 G311 A317 V320 V416 Q417	A302-V306 WeakPolarHBondContact O-CG2 3.5Å; A302-V306 PolarHBondContact O-N 2.96Å; H303-V306 PolarHBondContact O-N 3.41Å; H303-V306 VanDerWaalsContact O-N 3.14Å; Q304-V306 VanDerWaalsContact C-N 3.26Å; Q304-V306 PolarHBondContact O-N 3.38Å; V306-G311 WeakPolarHBondContact O-CA 3.32Å; V306-A317 HydrophobicContact CG2-CB 3.68Å; V306-A317 WeakPolarHBondContact CG2-O 3.34Å; V306-V320 HydrophobicContact CG2-CG2 4.32Å; V306-V416 WeakPolarHBondContact CG1-O 3.3Å; V306-Q417 HydrophobicContact CB-CB 4.33Å; V306-Q417 HydrophobicContact CG1-CB 3.9Å; V306-Q417 HydrophobicContact CG2-CB 4.18Å; V306-Q417 HydrophobicContact CG2-CG 3.98Å
307	F	98.8	Very high	98.4	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-96	-8.1	-164.7	-62.2	-76.1	0	0	0	114	H303 Q304 Q310 G311 A338 R341 P395 V397 P415 Q417	H303-F307 HydrophobicContact CB-CD2 4.5Å; H303-F307 AromaticContact CE1-CD2 3.32Å; H303-F307 WeakPolarHBondContact CE1-CD2 3.4Å; H303-F307 AromaticContact CE1-CE2 3.74Å; H303-F307 AromaticContact CG-CD2 3.8Å; H303-F307 AromaticContact ND1-CD2 3.22Å; H303-F307 WeakPolarHBondContact ND1-CD2 3.43Å; H303-F307 AromaticContact ND1-CE2 3.42Å; H303-F307 WeakPolarHBondContact ND1-CE2 3.41Å; H303-F307 AromaticContact NE2-CD2 3.94Å; H303-F307 WeakPolarHBondContact O-CD2 3.43Å; H303-F307 PolarHBondContact O-N 3.49Å; Q304-F307 PolarHBondContact O-N 3.44Å; F307-Q310 PolarHBondContact O-N 2.67Å; F307-G311 PolarHBondContact O-N 3.48Å; F307-A338 HydrophobicContact CE2-CB 4.48Å; F307-A338 HydrophobicContact CZ-CB 4.35Å; F307-R341 PolarHBondContact O-NH2 3.31Å; F307-P395 HydrophobicContact CD1-CB 4.19Å; F307-P395 HydrophobicContact CE1-CB 3.85Å; F307-P395 HydrophobicContact CZ-CB 4.44Å; F307-V397 HydrophobicContact CZ-CG2 4.14Å; F307-P415 HydrophobicContact CD1-CB 3.66Å; F307-P415 HydrophobicContact CE1-CB 4.04Å; F307-P415 WeakPolarHBondContact CE1-O 3.5Å; F307-Q417 HydrophobicContact CE2-CB 3.89Å; F307-Q417 HydrophobicContact CZ-CB 3.67Å
308	F	98.5	Very high	98	Very high	23 Å²	23	13.3 Å²	13.3	10%	0.101	7%	0.072	C	C	.	.	G	3₁₀ helix	trans	-55.5	140.1	173.8	174.2	-116.3	0	0	0	110.6	I132 F182 Q304 Q310 G311	I132-F308 HydrophobicContact CD1-CE2 3.56Å; I132-F308 HydrophobicContact CD1-CZ 4.08Å; I132-F308 HydrophobicContact CG2-CZ 3.92Å; F182-F308 AromaticContact CE1-CE1 3.64Å; F182-F308 HydrophobicContact CE1-CE1 3.64Å; F182-F308 AromaticContact CE1-CZ 3.88Å; F182-F308 HydrophobicContact CE1-CZ 3.88Å; F182-F308 HydrophobicContact CZ-CD1 4.24Å; F182-F308 AromaticContact CZ-CE1 3.48Å; F182-F308 HydrophobicContact CZ-CE1 3.48Å; F182-F308 VanDerWaalsContact CZ-CE1 3.48Å; F182-F308 HydrophobicContact CZ-CZ 4.13Å; Q304-F308 WeakPolarHBondContact O-CA 3.34Å; Q304-F308 WeakPolarHBondContact O-CB 3.44Å; Q304-F308 PolarHBondContact O-N 3.1Å; F308-Q310 VanDerWaalsContact C-N 3.26Å; F308-Q310 PolarHBondContact O-N 2.73Å; F308-G311 PolarHBondContact O-N 3.04Å
309	N	98.3	Very high	98	Very high	2 Å²	2	13.8 Å²	13.8	1%	0.011	7%	0.074	C	C	.	.	G	3₁₀ helix	trans	50.7	45	-175.4	-167.1	30.6	0	0	0	113.6	K124 N181 F182 G311 Q312	K124-N309 WeakPolarHBondContact CE-ND2 3.46Å; K124-N309 WeakPolarHBondContact CE-OD1 3.5Å; K124-N309 WeakPolarHBondContact CG-OD1 3.33Å; N181-N309 PolarHBondContact O-ND2 3.33Å; F182-N309 HydrophobicContact CE2-CB 4.41Å; F182-N309 VanDerWaalsContact CE2-ND2 3.32Å; F182-N309 WeakPolarHBondContact CE2-ND2 3.38Å; F182-N309 HydrophobicContact CZ-CB 3.89Å; F182-N309 WeakPolarHBondContact CZ-ND2 3.47Å; N309-G311 PolarHBondContact O-N 3.33Å; N309-Q312 PolarHBondContact ND2-O 3.15Å; N309-Q312 WeakPolarHBondContact O-CA 3.24Å; N309-Q312 VanDerWaalsContact O-CB 3.31Å; N309-Q312 WeakPolarHBondContact O-CB 3.48Å; N309-Q312 PolarHBondContact O-N 3.06Å
310	Q	98.6	Very high	98	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.074	C	C	.	.	G	3₁₀ helix	trans	58.6	17.3	-177.5	-43.4	79.7	52.2	0	0	114.2	P125 F307 F308 Q312 Q353 G354 P355 Q356 G414 P415	P125-Q310 VanDerWaalsContact CD-NE2 3.34Å; F307-Q310 PolarHBondContact O-N 2.67Å; F308-Q310 VanDerWaalsContact C-N 3.26Å; F308-Q310 PolarHBondContact O-N 2.73Å; Q310-Q312 VanDerWaalsContact C-N 3.3Å; Q310-Q312 HydrophobicContact CB-CG 4.4Å; Q310-Q353 HydrophobicContact CB-CG 4.17Å; Q310-Q353 HydrophobicContact CG-CG 3.97Å; Q310-G354 WeakPolarHBondContact CG-O 3.39Å; Q310-P355 WeakPolarHBondContact CG-O 3.46Å; Q310-Q356 PolarHBondContact O-OE1 3.5Å; Q310-G414 CarbonylContact O-C 3.57Å; Q310-G414 WeakPolarHBondContact O-CA 3.48Å; Q310-P415 VanDerWaalsContact O-CD 3.28Å; Q310-P415 WeakPolarHBondContact O-CD 3.27Å
311	G	98.5	Very high	98.1	Very high	1 Å²	1	9.2 Å²	9.2	1%	0.01	5%	0.053	C	C	.	.	G	3₁₀ helix	trans	80.1	6.1	-171.7	0	0	0	0	0	114.9	V306 F307 F308 N309 C313 F413 G414	V306-G311 WeakPolarHBondContact O-CA 3.32Å; F307-G311 PolarHBondContact O-N 3.48Å; F308-G311 PolarHBondContact O-N 3.04Å; N309-G311 PolarHBondContact O-N 3.33Å; G311-C313 VanDerWaalsContact C-N 3.28Å; G311-C313 PolarHBondContact O-N 3.39Å; G311-C313 VanDerWaalsContact O-N 3.16Å; G311-F413 CarbonylContact O-C 3.57Å; G311-F413 WeakPolarHBondContact O-CA 3.4Å; G311-G414 PolarHBondContact O-N 2.84Å
312	Q	98.8	Very high	98.1	Very high	2 Å²	2	8 Å²	8	1%	0.009	5%	0.045	C	C	.	.			trans	-89.7	60.7	179.2	-53.1	178.1	124.1	0	0	110	W180 N181 N309 Q310 F413	W180-Q312 HydrophobicContact CH2-CB 3.93Å; W180-Q312 HydrophobicContact CH2-CG 3.99Å; W180-Q312 HydrophobicContact CZ3-CB 3.72Å; W180-Q312 VanDerWaalsContact CZ3-CD 3.42Å; W180-Q312 HydrophobicContact CZ3-CG 3.96Å; N181-Q312 HydrophobicContact CB-CB 4.35Å; N181-Q312 VanDerWaalsContact CB-O 3.3Å; N181-Q312 WeakPolarHBondContact CB-O 3.33Å; N181-Q312 PolarHBondContact ND2-O 3.23Å; N181-Q312 VanDerWaalsContact ND2-O 3.17Å; N309-Q312 PolarHBondContact ND2-O 3.15Å; N309-Q312 WeakPolarHBondContact O-CA 3.24Å; N309-Q312 VanDerWaalsContact O-CB 3.31Å; N309-Q312 WeakPolarHBondContact O-CB 3.48Å; N309-Q312 PolarHBondContact O-N 3.06Å; Q310-Q312 VanDerWaalsContact C-N 3.3Å; Q310-Q312 HydrophobicContact CB-CG 4.4Å; Q312-F413 HydrophobicContact CB-CD1 3.85Å; Q312-F413 HydrophobicContact CB-CE1 3.84Å; Q312-F413 HydrophobicContact CG-CD1 4.29Å
313	C	98.3	Very high	98.1	Very high	9 Å²	9	9 Å²	9	6%	0.061	5%	0.049	C	C	.	.			trans	-135.7	134.3	-179.5	-163.6	0	0	0	0	110.6	F182 G311 T315 A316 F413	F182-C313 HydrophobicContact CE2-CB 4.1Å; F182-C313 VanDerWaalsContact CE2-SG 3.58Å; F182-C313 HydrophobicContact CZ-CB 4.34Å; G311-C313 VanDerWaalsContact C-N 3.28Å; G311-C313 PolarHBondContact O-N 3.39Å; G311-C313 VanDerWaalsContact O-N 3.16Å; C313-T315 PolarHBondContact O-N 3.43Å; C313-T315 PolarHBondContact SG-OG1 3.4Å; C313-A316 WeakPolarHBondContact O-CB 3.38Å; C313-A316 PolarHBondContact O-N 2.94Å; C313-F413 VanDerWaalsContact C-CE2 3.4Å
314	C	97.4	Very high	98.1	Very high	23 Å²	23	12.5 Å²	12.5	16%	0.155	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-27.4	176.7	56.4	0	0	0	0	111.6	N285 A316 L439	N285-C314 PolarHBondContact ND2-O 3.27Å; C314-A316 VanDerWaalsContact C-N 3.3Å; C314-A316 PolarHBondContact O-N 2.96Å; C314-L439 HydrophobicContact CB-CD2 3.55Å; C314-L439 WeakPolarHBondContact O-CD2 3.41Å
315	T	98.5	Very high	98.1	Very high	3 Å²	3	15.1 Å²	15.1	2%	0.018	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83	2	176.1	65.9	0	0	0	0	113.7	N285 C313 A317 T440 W464 Y468 N469 F477	N285-T315 VanDerWaalsContact ND2-CA 3.34Å; N285-T315 WeakPolarHBondContact ND2-CA 3.3Å; N285-T315 PolarHBondContact ND2-O 3.1Å; C313-T315 PolarHBondContact O-N 3.43Å; C313-T315 PolarHBondContact SG-OG1 3.4Å; T315-A317 PolarHBondContact O-N 3.16Å; T315-T440 HydrophobicContact CG2-CG2 3.77Å; T315-T440 PolarHBondContact O-OG1 3.04Å; T315-W464 HydrophobicContact CG2-CH2 3.95Å; T315-Y468 VanDerWaalsContact O-CE1 3.24Å; T315-Y468 WeakPolarHBondContact O-CE1 3.34Å; T315-Y468 PolarHBondContact O-OH 3.4Å; T315-N469 WeakPolarHBondContact CB-OD1 3.18Å; T315-N469 PolarHBondContact OG1-OD1 2.86Å; T315-F477 HydrophobicContact CG2-CE2 3.71Å; T315-F477 HydrophobicContact CG2-CZ 3.61Å
316	A	98.4	Very high	98.2	Very high	13 Å²	13	16.3 Å²	16.3	11%	0.107	8%	0.084	C	C	.	.			trans	-53.7	133.4	-172.8	0	0	0	0	0	112.9	N285 G305 C313 C314 S318	N285-A316 WeakPolarHBondContact CB-O 3.42Å; N285-A316 PolarHBondContact ND2-O 3.38Å; N285-A316 VanDerWaalsContact ND2-O 3.12Å; G305-A316 VanDerWaalsContact O-CA 3.32Å; G305-A316 WeakPolarHBondContact O-CA 3.37Å; C313-A316 WeakPolarHBondContact O-CB 3.38Å; C313-A316 PolarHBondContact O-N 2.94Å; C314-A316 VanDerWaalsContact C-N 3.3Å; C314-A316 PolarHBondContact O-N 2.96Å; A316-S318 PolarHBondContact O-N 2.92Å
317	A	97.6	Very high	98.2	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.084	C	C	.	.			trans	-72.1	55.7	-177.7	0	0	0	0	0	113.2	N285 C287 G305 V306 T315 R319 V320 Y468	N285-A317 CarbonylContact O-C 3.55Å; C287-A317 HydrophobicContact CB-CB 3.99Å; G305-A317 PolarHBondContact O-N 3.36Å; V306-A317 HydrophobicContact CG2-CB 3.68Å; V306-A317 WeakPolarHBondContact CG2-O 3.34Å; T315-A317 PolarHBondContact O-N 3.16Å; A317-R319 PolarHBondContact O-N 3.19Å; A317-R319 VanDerWaalsContact O-N 3.07Å; A317-V320 WeakPolarHBondContact O-CG2 3.42Å; A317-Y468 VanDerWaalsContact CA-OH 3.31Å; A317-Y468 WeakPolarHBondContact CA-OH 3.34Å; A317-Y468 HydrophobicContact CB-CE1 4.03Å; A317-Y468 HydrophobicContact CB-CE2 3.8Å; A317-Y468 WeakPolarHBondContact CB-OH 3.18Å
318	S	91.6	Very high	98.2	Very high	11 Å²	11	20.8 Å²	20.8	8%	0.077	12%	0.116	C	C	.	.			trans	-76.9	5.1	-163.9	62.3	0	0	0	0	115.3	K284 N285 A316 P418	K284-S318 WeakPolarHBondContact CA-OG 3.37Å; K284-S318 WeakPolarHBondContact CD-OG 3.48Å; K284-S318 WeakPolarHBondContact CE-O 3.11Å; K284-S318 WeakPolarHBondContact CE-OG 3.26Å; K284-S318 PolarHBondContact NZ-O 3.27Å; N285-S318 PolarHBondContact N-OG 3.15Å; N285-S318 PolarHBondContact O-N 3.38Å; A316-S318 PolarHBondContact O-N 2.92Å; S318-P418 WeakPolarHBondContact O-CG 3.46Å
319	R	98.7	Very high	98.2	Very high	10 Å²	10	22.7 Å²	22.7	4%	0.038	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	104.1	163.7	-67.5	-178.2	-66.2	150.6	1.1	109.4	K284 N285 P286 C287 A317 F321 A408 L420 R431 A432	K284-R319 HydrophobicContact CD-CG 4.42Å; K284-R319 HydrophobicContact CG-CG 3.92Å; K284-R319 PolarHBondContact O-NE 3.39Å; K284-R319 PolarHBondContact O-NH2 3.38Å; N285-R319 PolarHBondContact O-N 2.76Å; P286-R319 CarbonylContact C-O 3.52Å; P286-R319 WeakPolarHBondContact CA-O 3.27Å; C287-R319 PolarHBondContact N-O 2.96Å; A317-R319 PolarHBondContact O-N 3.19Å; A317-R319 VanDerWaalsContact O-N 3.07Å; R319-F321 HydrophobicContact CB-CD2 4.23Å; R319-F321 HydrophobicContact CB-CE2 3.59Å; R319-F321 HydrophobicContact CB-CZ 4.2Å; R319-F321 HydrophobicContact CG-CE2 4.48Å; R319-A408 WeakPolarHBondContact CD-O 3.43Å; R319-L420 HydrophobicContact CB-CD1 4.05Å; R319-L420 HydrophobicContact CG-CD1 4.43Å; R319-R431 PolarHBondContact NH1-O 2.89Å; R319-A432 PolarHBondContact NH1-O 3Å; R319-A432 PolarHBondContact NH2-O 3.09Å
320	V	98.9	Very high	98.2	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	104.8	178.7	-172.6	0	0	0	0	109.2	C287 V289 A302 V306 A317 V322 F330 Q417 P418 I419 L420	C287-V320 HydrophobicContact CB-CG2 4.33Å; C287-V320 CarbonylContact O-C 3.5Å; C287-V320 WeakPolarHBondContact O-CA 3.47Å; V289-V320 HydrophobicContact CG2-CG1 4.46Å; A302-V320 HydrophobicContact CB-CG1 4.42Å; V306-V320 HydrophobicContact CG2-CG2 4.32Å; A317-V320 WeakPolarHBondContact O-CG2 3.42Å; V320-V322 HydrophobicContact CG1-CG2 3.98Å; V320-F330 HydrophobicContact CG1-CE1 3.69Å; V320-F330 HydrophobicContact CG1-CZ 3.71Å; V320-Q417 HydrophobicContact CG2-CG 4.12Å; V320-P418 PolarHBondContact N-O 2.93Å; V320-I419 HydrophobicContact CB-CG1 4.46Å; V320-I419 CarbonylContact O-C 3.5Å; V320-I419 WeakPolarHBondContact O-CA 3.37Å; V320-L420 PolarHBondContact O-N 2.82Å
321	F	98.9	Very high	98.3	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	124.1	176.7	-65.5	-89.8	0	0	0	109.7	P286 C287 I288 V289 R319 L420 F422 V428 R431	P286-F321 HydrophobicContact CB-CD2 4.05Å; P286-F321 HydrophobicContact CB-CE2 3.85Å; C287-F321 PolarHBondContact O-N 3.32Å; I288-F321 CarbonylContact C-O 3.44Å; I288-F321 WeakPolarHBondContact CA-O 3.46Å; I288-F321 HydrophobicContact CG1-CB 4.41Å; V289-F321 PolarHBondContact N-O 2.85Å; R319-F321 HydrophobicContact CB-CD2 4.23Å; R319-F321 HydrophobicContact CB-CE2 3.59Å; R319-F321 HydrophobicContact CB-CZ 4.2Å; R319-F321 HydrophobicContact CG-CE2 4.48Å; F321-L420 CarbonylContact C-O 3.54Å; F321-L420 WeakPolarHBondContact CA-O 3.17Å; F321-L420 HydrophobicContact CD1-CB 3.83Å; F321-L420 HydrophobicContact CD1-CD2 4.46Å; F321-L420 HydrophobicContact CE1-CB 4.06Å; F321-L420 HydrophobicContact CE1-CD2 3.82Å; F321-L420 HydrophobicContact CE1-CG 4.39Å; F321-L420 HydrophobicContact CG-CB 4.48Å; F321-L420 HydrophobicContact CZ-CD2 4.19Å; F321-F422 HydrophobicContact CB-CD1 3.85Å; F321-F422 HydrophobicContact CB-CE1 4.31Å; F321-V428 HydrophobicContact CB-CG2 3.67Å; F321-V428 HydrophobicContact CD1-CG2 4.03Å; F321-V428 HydrophobicContact CD2-CG2 4.42Å; F321-V428 HydrophobicContact CG-CG2 3.8Å; F321-R431 HydrophobicContact CE1-CB 4.05Å; F321-R431 HydrophobicContact CZ-CB 4.35Å
322	V	98.9	Very high	98.3	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	134.5	-178.6	-170.6	0	0	0	0	110.4	V289 V320 V326 Y327 F330 I419 L420 K421 F422	V289-V322 HydrophobicContact CB-CG1 4.31Å; V289-V322 HydrophobicContact CB-CG2 4.28Å; V289-V322 HydrophobicContact CG1-CG1 4.43Å; V320-V322 HydrophobicContact CG1-CG2 3.98Å; V322-V326 HydrophobicContact CG1-CG2 3.77Å; V322-Y327 HydrophobicContact CB-CD2 4.11Å; V322-F330 HydrophobicContact CG1-CB 3.81Å; V322-F330 HydrophobicContact CG1-CD1 4.49Å; V322-F330 HydrophobicContact CG1-CD2 4.37Å; V322-F330 HydrophobicContact CG1-CG 3.98Å; V322-F330 HydrophobicContact CG2-CB 4.37Å; V322-F330 HydrophobicContact CG2-CD1 3.51Å; V322-F330 HydrophobicContact CG2-CD2 4.26Å; V322-F330 HydrophobicContact CG2-CE1 3.78Å; V322-F330 HydrophobicContact CG2-CE2 4.5Å; V322-F330 HydrophobicContact CG2-CG 3.78Å; V322-F330 HydrophobicContact CG2-CZ 4.27Å; V322-I419 HydrophobicContact CG2-CG2 3.8Å; V322-L420 PolarHBondContact N-O 2.87Å; V322-K421 WeakPolarHBondContact O-CA 3.5Å; V322-F422 WeakPolarHBondContact O-CD1 3.46Å; V322-F422 PolarHBondContact O-N 3.31Å
323	E	98.8	Very high	98.3	Very high	21 Å²	21	30.7 Å²	30.7	10%	0.098	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	139.4	-179	-146.1	177.1	161.8	0	0	110.2	V289 C290 A291 Q325 V326 Y327 F422	V289-E323 PolarHBondContact O-N 3.04Å; C290-E323 WeakPolarHBondContact CA-OE2 3.13Å; A291-E323 HydrophobicContact CB-CB 4.14Å; A291-E323 HydrophobicContact CB-CG 4.41Å; A291-E323 WeakPolarHBondContact CB-OE2 3.38Å; A291-E323 PolarHBondContact N-OE2 3.24Å; E323-Q325 PolarHBondContact O-N 2.86Å; E323-V326 PolarHBondContact O-N 2.82Å; E323-Y327 PolarHBondContact O-N 2.76Å; E323-F422 WeakPolarHBondContact CA-O 3.17Å; E323-F422 HydrophobicContact CB-CE1 3.89Å; E323-F422 HydrophobicContact CB-CE2 4.07Å; E323-F422 HydrophobicContact CB-CZ 3.61Å; E323-F422 HydrophobicContact CG-CD2 4.24Å; E323-F422 HydrophobicContact CG-CE1 4.38Å; E323-F422 HydrophobicContact CG-CE2 3.64Å; E323-F422 HydrophobicContact CG-CZ 3.72Å
324	E	98.4	Very high	98.3	Very high	78 Å²	78	30.3 Å²	30.3	36%	0.364	15%	0.153	S	C	.	.	H	α-helix	trans	-54.2	-30.9	-168.9	65.4	178.4	-175	0	0	114.4	V326 K421 F422 K423	E324-V326 VanDerWaalsContact C-N 3.3Å; E324-V326 PolarHBondContact O-N 2.99Å; E324-K421 HydrophobicContact CB-CD 4.24Å; E324-K421 HydrophobicContact CB-CG 4.06Å; E324-F422 PolarHBondContact N-O 2.65Å; E324-K423 HydrophobicContact CG-CG 4.5Å; E324-K423 VanDerWaalsContact OE2-CD 3.25Å; E324-K423 WeakPolarHBondContact OE2-CD 3.2Å; E324-K423 WeakPolarHBondContact OE2-CE 3.11Å; E324-K423 WeakPolarHBondContact OE2-CG 3.29Å; E324-K423 IonicContact OE2-NZ 3.04Å
325	Q	98.7	Very high	98.4	Very high	117 Å²	117	29.8 Å²	29.8	55%	0.547	15%	0.149	S	C	.	.	H	α-helix	trans	-67.1	-28.8	-178.1	-61.8	79.4	4.6	0	0	113.1	A291 E323	A291-Q325 HydrophobicContact CB-CB 4.04Å; E323-Q325 PolarHBondContact O-N 2.86Å
326	V	98.8	Very high	98.4	Very high	26 Å²	26	33.7 Å²	33.7	16%	0.158	17%	0.167	C	C	.	.	H	α-helix	trans	-117.3	-1.3	-178.8	-60.3	0	0	0	0	113.1	A291 L295 V322 E323 E324 S328 E329 F330	A291-V326 HydrophobicContact CB-CG1 4.17Å; A291-V326 HydrophobicContact CB-CG2 4.47Å; L295-V326 HydrophobicContact CD1-CB 4.36Å; L295-V326 HydrophobicContact CD1-CG2 4.38Å; V322-V326 HydrophobicContact CG1-CG2 3.77Å; E323-V326 PolarHBondContact O-N 2.82Å; E324-V326 VanDerWaalsContact C-N 3.3Å; E324-V326 PolarHBondContact O-N 2.99Å; V326-S328 PolarHBondContact O-N 2.88Å; V326-E329 PolarHBondContact O-N 2.97Å; V326-F330 WeakPolarHBondContact O-CB 3.41Å; V326-F330 PolarHBondContact O-N 3.02Å
327	Y	98.9	Very high	98.4	Very high	4 Å²	4	36.9 Å²	36.9	2%	0.016	18%	0.177	C	C	.	.	H	α-helix	trans	-53.1	-52.8	-175.7	174.1	-86.5	0	0	0	113.5	V322 E323 E329 F330 V331 E400 I419 K421	V322-Y327 HydrophobicContact CB-CD2 4.11Å; E323-Y327 PolarHBondContact O-N 2.76Å; Y327-E329 VanDerWaalsContact C-N 3.31Å; Y327-E329 PolarHBondContact O-N 2.82Å; Y327-F330 PolarHBondContact O-N 3.43Å; Y327-V331 HydrophobicContact CD1-CG2 4.28Å; Y327-V331 HydrophobicContact CE1-CG2 3.85Å; Y327-V331 HydrophobicContact CE2-CG2 4.12Å; Y327-V331 WeakPolarHBondContact O-CG2 3.42Å; Y327-V331 PolarHBondContact O-N 2.85Å; Y327-E400 WeakPolarHBondContact CE1-OE1 3.42Å; Y327-E400 VanDerWaalsContact CZ-OE1 3.24Å; Y327-E400 VanDerWaalsContact OH-CD 3.28Å; Y327-E400 PolarHBondContact OH-N 2.84Å; Y327-E400 PolarHBondContact OH-OE1 2.83Å; Y327-I419 HydrophobicContact CD2-CG2 4.42Å; Y327-I419 HydrophobicContact CE2-CG2 3.93Å; Y327-K421 HydrophobicContact CD1-CD 4.4Å; Y327-K421 HydrophobicContact CD2-CB 3.68Å; Y327-K421 HydrophobicContact CD2-CD 4.47Å; Y327-K421 HydrophobicContact CD2-CG 3.86Å; Y327-K421 HydrophobicContact CE2-CB 3.77Å; Y327-K421 HydrophobicContact CE2-CG 4.38Å; Y327-K421 HydrophobicContact CG-CB 4.28Å; Y327-K421 HydrophobicContact CG-CD 4.24Å; Y327-K421 HydrophobicContact CG-CG 3.99Å
328	S	98.8	Very high	98.4	Very high	94 Å²	94	37 Å²	37	66%	0.657	18%	0.177	S	C	*	.	H	α-helix	trans	-63.9	-38.6	-175	-58.3	0	0	0	0	112.1	V326 R332	V326-S328 PolarHBondContact O-N 2.88Å; S328-R332 PolarHBondContact O-N 3.43Å; S328-R332 VanDerWaalsContact O-N 3.1Å
329	E	98.8	Very high	98.7	Very high	62 Å²	62	45 Å²	45	29%	0.29	21%	0.206	S	C	.	.	H	α-helix	trans	-72.1	-38.9	177.6	179.7	60.8	-174.3	0	0	111.5	L295 V326 Y327 R332 R333	L295-E329 HydrophobicContact CD2-CB 4.24Å; L295-E329 HydrophobicContact CD2-CG 3.6Å; V326-E329 PolarHBondContact O-N 2.97Å; Y327-E329 VanDerWaalsContact C-N 3.31Å; Y327-E329 PolarHBondContact O-N 2.82Å; E329-R332 PolarHBondContact O-N 2.88Å; E329-R332 IonicContact OE1-CZ 3.62Å; E329-R332 IonicContact OE1-NE 2.86Å; E329-R332 IonicContact OE1-NH2 3.5Å; E329-R332 PolarHBondContact OE1-NH2 3.33Å; E329-R332 IonicContact OE2-CZ 3.93Å; E329-R332 IonicContact OE2-NE 2.73Å; E329-R332 PolarHBondContact OE2-NE 3.28Å; E329-R332 IonicContact OE2-NH2 3.6Å; E329-R333 WeakPolarHBondContact O-CG 3.48Å; E329-R333 PolarHBondContact O-N 3.23Å; E329-R333 IonicContact OE1-CZ 3.64Å; E329-R333 VanDerWaalsContact OE1-CZ 3.27Å; E329-R333 IonicContact OE1-NE 2.92Å; E329-R333 PolarHBondContact OE1-NE 3.44Å; E329-R333 IonicContact OE1-NH2 3.27Å; E329-R333 PolarHBondContact OE1-NH2 2.79Å
330	F	98.9	Very high	98.7	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-60.4	-45.6	174.2	-174.8	-84	0	0	0	111.7	V289 L295 A298 V299 A302 V320 V322 V326 Y327 R333 S334 I419	V289-F330 HydrophobicContact CB-CE2 4.46Å; V289-F330 HydrophobicContact CG1-CD2 4.18Å; V289-F330 HydrophobicContact CG1-CE2 4.2Å; V289-F330 HydrophobicContact CG2-CE2 3.89Å; V289-F330 HydrophobicContact CG2-CZ 4.25Å; L295-F330 HydrophobicContact CD1-CB 4.2Å; L295-F330 HydrophobicContact CD1-CD2 3.75Å; L295-F330 HydrophobicContact CD1-CG 4.48Å; A298-F330 HydrophobicContact CB-CE2 4.34Å; V299-F330 HydrophobicContact CB-CE2 4.35Å; V299-F330 HydrophobicContact CG2-CD2 3.49Å; V299-F330 VanDerWaalsContact CG2-CD2 3.49Å; V299-F330 HydrophobicContact CG2-CE2 3.58Å; V299-F330 HydrophobicContact CG2-CG 4.16Å; V299-F330 HydrophobicContact CG2-CZ 4.3Å; A302-F330 HydrophobicContact CB-CZ 3.93Å; V320-F330 HydrophobicContact CG1-CE1 3.69Å; V320-F330 HydrophobicContact CG1-CZ 3.71Å; V322-F330 HydrophobicContact CG1-CB 3.81Å; V322-F330 HydrophobicContact CG1-CD1 4.49Å; V322-F330 HydrophobicContact CG1-CD2 4.37Å; V322-F330 HydrophobicContact CG1-CG 3.98Å; V322-F330 HydrophobicContact CG2-CB 4.37Å; V322-F330 HydrophobicContact CG2-CD1 3.51Å; V322-F330 HydrophobicContact CG2-CD2 4.26Å; V322-F330 HydrophobicContact CG2-CE1 3.78Å; V322-F330 HydrophobicContact CG2-CE2 4.5Å; V322-F330 HydrophobicContact CG2-CG 3.78Å; V322-F330 HydrophobicContact CG2-CZ 4.27Å; V326-F330 WeakPolarHBondContact O-CB 3.41Å; V326-F330 PolarHBondContact O-N 3.02Å; Y327-F330 PolarHBondContact O-N 3.43Å; F330-R333 PolarHBondContact O-N 3.19Å; F330-S334 WeakPolarHBondContact CD1-OG 3.47Å; F330-S334 WeakPolarHBondContact CE1-OG 3.45Å; F330-S334 VanDerWaalsContact O-CB 3.27Å; F330-S334 WeakPolarHBondContact O-CB 3.49Å; F330-S334 PolarHBondContact O-N 3.34Å; F330-S334 PolarHBondContact O-OG 3.31Å; F330-I419 HydrophobicContact CD1-CD1 4.2Å; F330-I419 HydrophobicContact CD1-CG2 4.17Å; F330-I419 HydrophobicContact CE1-CD1 4.1Å; F330-I419 HydrophobicContact CE1-CG2 4.34Å
331	V	98.9	Very high	98.7	Very high	10 Å²	10	53 Å²	53	6%	0.061	24%	0.241	C	C	.	.	H	α-helix	trans	-59.8	-48.7	176.4	172.2	0	0	0	0	110	Y327 R333 S334 V335 E380 I419	Y327-V331 HydrophobicContact CD1-CG2 4.28Å; Y327-V331 HydrophobicContact CE1-CG2 3.85Å; Y327-V331 HydrophobicContact CE2-CG2 4.12Å; Y327-V331 WeakPolarHBondContact O-CG2 3.42Å; Y327-V331 PolarHBondContact O-N 2.85Å; V331-R333 PolarHBondContact O-N 3.1Å; V331-S334 PolarHBondContact O-N 2.98Å; V331-V335 HydrophobicContact CG1-CG2 4.45Å; V331-V335 VanDerWaalsContact O-CG2 3.25Å; V331-V335 WeakPolarHBondContact O-CG2 3.49Å; V331-V335 PolarHBondContact O-N 3.16Å; V331-E380 HydrophobicContact CG1-CG 4.06Å; V331-I419 HydrophobicContact CG2-CB 4.41Å; V331-I419 HydrophobicContact CG2-CD1 4.09Å; V331-I419 HydrophobicContact CG2-CG2 3.99Å
332	R	98.9	Very high	98.6	Very high	107 Å²	107	55.1 Å²	55.1	40%	0.404	26%	0.255	S	S	.	.	H	α-helix	trans	-55.7	-50.9	179	-170.3	-167	67.8	73.9	1.7	111.8	S328 E329 V335 E336	S328-R332 PolarHBondContact O-N 3.43Å; S328-R332 VanDerWaalsContact O-N 3.1Å; E329-R332 PolarHBondContact O-N 2.88Å; E329-R332 IonicContact OE1-CZ 3.62Å; E329-R332 IonicContact OE1-NE 2.86Å; E329-R332 IonicContact OE1-NH2 3.5Å; E329-R332 PolarHBondContact OE1-NH2 3.33Å; E329-R332 IonicContact OE2-CZ 3.93Å; E329-R332 IonicContact OE2-NE 2.73Å; E329-R332 PolarHBondContact OE2-NE 3.28Å; E329-R332 IonicContact OE2-NH2 3.6Å; R332-V335 PolarHBondContact O-N 3.42Å; R332-E336 IonicContact CZ-OE1 3.7Å; R332-E336 IonicContact NH1-OE1 3.31Å; R332-E336 PolarHBondContact NH1-OE1 2.85Å; R332-E336 IonicContact NH1-OE2 2.87Å; R332-E336 PolarHBondContact NH1-OE2 3.01Å; R332-E336 VanDerWaalsContact NH1-OE2 3.16Å; R332-E336 PolarHBondContact O-N 2.63Å
333	R	98.8	Very high	98.6	Very high	57 Å²	57	56.6 Å²	56.6	22%	0.215	26%	0.264	C	S	.	.	H	α-helix	trans	-65.5	-41.8	179.3	-67.1	-172.7	-169.4	-163.2	3.4	112.1	D296 V299 E329 F330 V331 V335 E336 Y337	D296-R333 IonicContact OD1-CZ 3.42Å; D296-R333 IonicContact OD1-NH1 2.63Å; D296-R333 PolarHBondContact OD1-NH1 3.46Å; D296-R333 IonicContact OD2-NH1 3.1Å; D296-R333 PolarHBondContact OD2-NH1 3.46Å; D296-R333 VanDerWaalsContact OD2-NH1 3.1Å; V299-R333 HydrophobicContact CB-CB 4.47Å; V299-R333 HydrophobicContact CG1-CB 3.97Å; V299-R333 HydrophobicContact CG2-CB 3.89Å; E329-R333 WeakPolarHBondContact O-CG 3.48Å; E329-R333 PolarHBondContact O-N 3.23Å; E329-R333 IonicContact OE1-CZ 3.64Å; E329-R333 VanDerWaalsContact OE1-CZ 3.27Å; E329-R333 IonicContact OE1-NE 2.92Å; E329-R333 PolarHBondContact OE1-NE 3.44Å; E329-R333 IonicContact OE1-NH2 3.27Å; E329-R333 PolarHBondContact OE1-NH2 2.79Å; F330-R333 PolarHBondContact O-N 3.19Å; V331-R333 PolarHBondContact O-N 3.1Å; R333-V335 VanDerWaalsContact C-N 3.28Å; R333-V335 PolarHBondContact O-N 3.37Å; R333-E336 WeakPolarHBondContact O-CB 3.45Å; R333-E336 PolarHBondContact O-N 3.43Å; R333-Y337 WeakPolarHBondContact O-CD2 3.45Å; R333-Y337 PolarHBondContact O-N 3.33Å
334	S	98.8	Very high	98.5	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-59.6	-39.1	178.7	-61.8	0	0	0	0	112.3	F330 V331 Y337 A338	F330-S334 WeakPolarHBondContact CD1-OG 3.47Å; F330-S334 WeakPolarHBondContact CE1-OG 3.45Å; F330-S334 VanDerWaalsContact O-CB 3.27Å; F330-S334 WeakPolarHBondContact O-CB 3.49Å; F330-S334 PolarHBondContact O-N 3.34Å; F330-S334 PolarHBondContact O-OG 3.31Å; V331-S334 PolarHBondContact O-N 2.98Å; S334-Y337 PolarHBondContact O-N 3.33Å; S334-A338 WeakPolarHBondContact O-CB 3.37Å; S334-A338 PolarHBondContact O-N 3.29Å
335	V	98.8	Very high	98.4	Very high	13 Å²	13	55.6 Å²	55.6	8%	0.079	27%	0.266	C	S	.	.	H	α-helix	trans	-64.9	-40.1	174.6	173.8	0	0	0	0	111.6	V331 R332 R333 A338 R339 E380 C381 V397	V331-V335 HydrophobicContact CG1-CG2 4.45Å; V331-V335 VanDerWaalsContact O-CG2 3.25Å; V331-V335 WeakPolarHBondContact O-CG2 3.49Å; V331-V335 PolarHBondContact O-N 3.16Å; R332-V335 PolarHBondContact O-N 3.42Å; R333-V335 VanDerWaalsContact C-N 3.28Å; R333-V335 PolarHBondContact O-N 3.37Å; V335-A338 PolarHBondContact O-N 3.04Å; V335-R339 HydrophobicContact CG1-CG 4.42Å; V335-R339 WeakPolarHBondContact O-CB 3.33Å; V335-R339 WeakPolarHBondContact O-CG 3.42Å; V335-R339 PolarHBondContact O-N 2.91Å; V335-E380 HydrophobicContact CG2-CB 3.4Å; V335-E380 HydrophobicContact CG2-CG 4.04Å; V335-C381 HydrophobicContact CG1-CB 4.18Å; V335-V397 HydrophobicContact CG2-CB 4.36Å; V335-V397 HydrophobicContact CG2-CG1 4.13Å
336	E	98.6	Very high	98.3	Very high	85 Å²	85	50 Å²	50	40%	0.397	24%	0.24	S	C	.	.	H	α-helix	trans	-63.7	-42.7	176.7	-71.5	178.6	174	0	0	112.1	R332 R333 K340	R332-E336 IonicContact CZ-OE1 3.7Å; R332-E336 IonicContact NH1-OE1 3.31Å; R332-E336 PolarHBondContact NH1-OE1 2.85Å; R332-E336 IonicContact NH1-OE2 2.87Å; R332-E336 PolarHBondContact NH1-OE2 3.01Å; R332-E336 VanDerWaalsContact NH1-OE2 3.16Å; R332-E336 PolarHBondContact O-N 2.63Å; R333-E336 WeakPolarHBondContact O-CB 3.45Å; R333-E336 PolarHBondContact O-N 3.43Å; E336-K340 VanDerWaalsContact O-CG 3.3Å; E336-K340 WeakPolarHBondContact O-CG 3.19Å; E336-K340 PolarHBondContact O-N 3.28Å
337	Y	98.2	Very high	98.3	Very high	79 Å²	79	49.6 Å²	49.6	31%	0.31	24%	0.236	S	C	.	.	H	α-helix	trans	-63.1	-47.4	173.6	-87.3	-103.6	0	0	0	111.4	V299 E300 R333 S334 R339 K340 R341	V299-Y337 HydrophobicContact CG1-CD2 3.66Å; V299-Y337 HydrophobicContact CG1-CE2 3.9Å; V299-Y337 HydrophobicContact CG1-CG 4.19Å; E300-Y337 HydrophobicContact CB-CE1 4.11Å; E300-Y337 HydrophobicContact CG-CE1 4.21Å; R333-Y337 WeakPolarHBondContact O-CD2 3.45Å; R333-Y337 PolarHBondContact O-N 3.33Å; S334-Y337 PolarHBondContact O-N 3.33Å; Y337-R339 VanDerWaalsContact C-N 3.34Å; Y337-R339 PolarHBondContact O-N 3.02Å; Y337-K340 PolarHBondContact O-N 3.4Å; Y337-K340 VanDerWaalsContact O-N 3.13Å; Y337-R341 PolarHBondContact O-N 3.06Å
338	A	98.4	Very high	98.1	Very high	2 Å²	2	52.5 Å²	52.5	2%	0.017	25%	0.252	C	S	.	.	H	α-helix	trans	-60.7	-38.9	179.8	0	0	0	0	0	113.3	F307 S334 V335 K340 R341 P395 V397	F307-A338 HydrophobicContact CE2-CB 4.48Å; F307-A338 HydrophobicContact CZ-CB 4.35Å; S334-A338 WeakPolarHBondContact O-CB 3.37Å; S334-A338 PolarHBondContact O-N 3.29Å; V335-A338 PolarHBondContact O-N 3.04Å; A338-K340 VanDerWaalsContact C-N 3.34Å; A338-R341 PolarHBondContact O-N 2.95Å; A338-P395 HydrophobicContact CB-CB 4.31Å; A338-V397 HydrophobicContact CB-CG2 3.56Å
339	R	98.3	Very high	98	Very high	180 Å²	180	51.5 Å²	51.5	68%	0.679	24%	0.242	S	C	*	.	H	α-helix	trans	-70.4	-28.8	176.3	-72.1	177.6	-176.4	-170.1	1.9	113.4	V335 Y337 E380 C381	V335-R339 HydrophobicContact CG1-CG 4.42Å; V335-R339 WeakPolarHBondContact O-CB 3.33Å; V335-R339 WeakPolarHBondContact O-CG 3.42Å; V335-R339 PolarHBondContact O-N 2.91Å; Y337-R339 VanDerWaalsContact C-N 3.34Å; Y337-R339 PolarHBondContact O-N 3.02Å; R339-E380 PolarHBondContact NH2-O 3.34Å; R339-C381 HydrophobicContact CG-CB 4.07Å
340	K	97.8	Very high	97.8	Very high	166 Å²	166	56.3 Å²	56.3	72%	0.722	26%	0.262	S	S	*	.	H	α-helix	trans	-84.4	-15.3	178.8	-72.4	174.4	-177.5	174.3	0	113.2	E336 Y337 A338 P342	E336-K340 VanDerWaalsContact O-CG 3.3Å; E336-K340 WeakPolarHBondContact O-CG 3.19Å; E336-K340 PolarHBondContact O-N 3.28Å; Y337-K340 PolarHBondContact O-N 3.4Å; Y337-K340 VanDerWaalsContact O-N 3.13Å; A338-K340 VanDerWaalsContact C-N 3.34Å; K340-P342 VanDerWaalsContact O-CD 3.29Å; K340-P342 WeakPolarHBondContact O-CD 3.33Å
341	R	98.3	Very high	97.8	Very high	12 Å²	12	56.9 Å²	56.9	5%	0.045	27%	0.265	C	S	.	.			trans	-61.8	116	-177.9	-179.6	171.4	-170.6	68.4	3.1	111.1	F307 Y337 A338 V343 E352 P395	F307-R341 PolarHBondContact O-NH2 3.31Å; Y337-R341 PolarHBondContact O-N 3.06Å; A338-R341 PolarHBondContact O-N 2.95Å; R341-V343 PolarHBondContact O-N 3.47Å; R341-E352 HydrophobicContact CG-CB 4.46Å; R341-E352 IonicContact CZ-OE2 3.83Å; R341-E352 IonicContact NH1-OE2 3.59Å; R341-E352 PolarHBondContact NH1-OE2 3.31Å; R341-E352 PolarHBondContact NH2-O 3.31Å; R341-P395 HydrophobicContact CB-CG 4.15Å; R341-P395 HydrophobicContact CG-CG 4.26Å
342	P	97.8	Very high	97.7	Very high	45 Å²	45	59.5 Å²	59.5	29%	0.292	28%	0.277	S	S	.	.			trans	-74.8	121.8	-178.6	27.5	-31	0	0	0	111.2	K340 K350 E352 Q353	K340-P342 VanDerWaalsContact O-CD 3.29Å; K340-P342 WeakPolarHBondContact O-CD 3.33Å; P342-K350 WeakPolarHBondContact CB-O 2.93Å; P342-K350 WeakPolarHBondContact CG-O 3.41Å; P342-E352 HydrophobicContact CG-CB 3.96Å; P342-E352 HydrophobicContact CG-CG 3.8Å; P342-E352 PolarHBondContact O-N 3.08Å; P342-E352 VanDerWaalsContact O-N 3.08Å; P342-Q353 PolarHBondContact O-N 3.04Å; P342-Q353 VanDerWaalsContact O-N 3.1Å
343	V	98.1	Very high	97.7	Very high	31 Å²	31	54.4 Å²	54.4	19%	0.188	26%	0.257	C	S	.	.	B	Isolated β-bridge	trans	-113.2	129.3	175.7	-171.3	0	0	0	0	109.1	R341 Q353 M386 F392 P395	R341-V343 PolarHBondContact O-N 3.47Å; V343-Q353 VanDerWaalsContact CA-O 3.27Å; V343-Q353 WeakPolarHBondContact CA-O 3.31Å; V343-Q353 HydrophobicContact CG1-CB 4.46Å; V343-Q353 HydrophobicContact CG1-CG 4.2Å; V343-Q353 WeakPolarHBondContact CG1-O 3.3Å; V343-Q353 HydrophobicContact CG2-CB 4.06Å; V343-Q353 HydrophobicContact CG2-CG 4.19Å; V343-M386 HydrophobicContact CB-CE 4.4Å; V343-M386 HydrophobicContact CB-SD 3.61Å; V343-M386 HydrophobicContact CG1-CE 4.47Å; V343-M386 HydrophobicContact CG1-SD 3.36Å; V343-M386 WeakPolarHBondContact CG1-SD 3.39Å; V343-M386 HydrophobicContact CG2-SD 4.38Å; V343-F392 HydrophobicContact CG1-CB 4.41Å; V343-F392 HydrophobicContact CG1-CD1 3.81Å; V343-P395 HydrophobicContact CG2-CG 3.79Å
344	G	96.6	Very high	97.7	Very high	20 Å²	20	51.7 Å²	51.7	21%	0.206	25%	0.247	C	C	.	.	S	Bend	trans	171.3	-154.4	-178.2	0	0	0	0	0	114.3	P346 Q353 F392	G344-P346 WeakPolarHBondContact O-CD 3.36Å; G344-Q353 PolarHBondContact N-O 3.01Å; G344-Q353 VanDerWaalsContact N-O 3.12Å; G344-F392 VanDerWaalsContact O-CE1 3.24Å; G344-F392 WeakPolarHBondContact O-CE1 3.45Å
345	D	96.8	Very high	97.7	Very high	57 Å²	57	51.7 Å²	51.7	31%	0.305	25%	0.247	S	C	.	.			trans	-52	119	179.4	176	6.5	0	0	0	110.7	R25 F347 D348 T351	R25-D345 IonicContact CZ-OD2 2.87Å; R25-D345 IonicContact NH1-OD2 2.75Å; R25-D345 PolarHBondContact NH1-OD2 2.86Å; R25-D345 IonicContact NH2-OD2 3.85Å; R25-D345 PolarHBondContact NH2-OD2 3.2Å; D345-F347 PolarHBondContact O-N 3.18Å; D345-F347 VanDerWaalsContact O-N 3.12Å; D345-F347 PolarHBondContact OD1-N 2.63Å; D345-D348 HydrophobicContact CB-CB 4.21Å; D345-D348 WeakPolarHBondContact O-CB 3.44Å; D345-D348 PolarHBondContact O-N 3.39Å; D345-T351 VanDerWaalsContact O-CB 3.29Å; D345-T351 WeakPolarHBondContact O-CB 3.46Å; D345-T351 PolarHBondContact O-OG1 3.45Å
346	P	97.8	Very high	97.7	Very high	1 Å²	1	51 Å²	51	1%	0.006	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-22.1	178.4	-26.9	37.1	0	0	0	114.5	T119 G123 K124 P125 F126 G344	T119-P346 HydrophobicContact CG2-CB 3.61Å; G123-P346 WeakPolarHBondContact O-CB 3.47Å; G123-P346 VanDerWaalsContact O-CG 3.28Å; G123-P346 WeakPolarHBondContact O-CG 3.36Å; K124-P346 WeakPolarHBondContact O-CB 3.42Å; P125-P346 CarbonylContact C-O 3.55Å; P125-P346 WeakPolarHBondContact CA-O 3.2Å; F126-P346 PolarHBondContact N-O 3.48Å; G344-P346 WeakPolarHBondContact O-CD 3.36Å
347	F	97.2	Very high	97.7	Very high	16 Å²	16	47.5 Å²	47.5	7%	0.07	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-1.4	176.2	-74.2	-83.2	0	0	0	113.6	P23 I24 R25 A116 T119 M120 F126 D345	P23-F347 HydrophobicContact CB-CB 4.44Å; P23-F347 HydrophobicContact CB-CD1 3.56Å; P23-F347 HydrophobicContact CB-CE1 4.32Å; P23-F347 HydrophobicContact CB-CG 4.49Å; I24-F347 WeakPolarHBondContact O-CE1 3.24Å; R25-F347 HydrophobicContact CG-CB 4.06Å; R25-F347 HydrophobicContact CG-CD1 4.04Å; R25-F347 HydrophobicContact CG-CG 3.99Å; R25-F347 VanDerWaalsContact NH2-C 3.31Å; R25-F347 PolarHBondContact NH2-O 2.78Å; R25-F347 VanDerWaalsContact NH2-O 3.14Å; A116-F347 HydrophobicContact CB-CE1 4.14Å; A116-F347 HydrophobicContact CB-CZ 4.46Å; T119-F347 HydrophobicContact CG2-CD1 4.21Å; T119-F347 HydrophobicContact CG2-CD2 3.79Å; T119-F347 HydrophobicContact CG2-CE1 3.99Å; T119-F347 HydrophobicContact CG2-CE2 3.53Å; T119-F347 HydrophobicContact CG2-CG 4.14Å; T119-F347 HydrophobicContact CG2-CZ 3.64Å; M120-F347 HydrophobicContact CB-CE2 4.5Å; M120-F347 HydrophobicContact CB-CZ 4.41Å; F126-F347 HydrophobicContact CB-CD1 4.33Å; F126-F347 HydrophobicContact CD2-CE1 4.34Å; D345-F347 PolarHBondContact O-N 3.18Å; D345-F347 VanDerWaalsContact O-N 3.12Å; D345-F347 PolarHBondContact OD1-N 2.63Å
348	D	96.3	Very high	97.7	Very high	66 Å²	66	45.5 Å²	45.5	35%	0.353	22%	0.222	S	C	.	.	S	Bend	trans	-79.1	129.7	168.1	-176.5	-4.1	0	0	0	109.7	D345 K350 T351	D345-D348 HydrophobicContact CB-CB 4.21Å; D345-D348 WeakPolarHBondContact O-CB 3.44Å; D345-D348 PolarHBondContact O-N 3.39Å; D348-K350 PolarHBondContact O-N 2.99Å; D348-K350 PolarHBondContact OD1-N 3.49Å; D348-T351 WeakPolarHBondContact O-CB 3.27Å; D348-T351 PolarHBondContact O-N 2.83Å; D348-T351 VanDerWaalsContact O-N 3.1Å
349	V	95.4	Very high	97.7	Very high	72 Å²	72	49.8 Å²	49.8	44%	0.436	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-15.3	179.9	-62.8	0	0	0	0	113.4	L127	L127-V349 HydrophobicContact CD1-CB 4.17Å; L127-V349 WeakPolarHBondContact CD1-O 3.27Å
350	K	96.1	Very high	97.6	Very high	164 Å²	164	49.4 Å²	49.4	71%	0.713	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.4	-12.2	175.5	-64.6	-176.6	-179.7	178.4	0	113.5	P342 D348	P342-K350 WeakPolarHBondContact CB-O 2.93Å; P342-K350 WeakPolarHBondContact CG-O 3.41Å; D348-K350 PolarHBondContact O-N 2.99Å; D348-K350 PolarHBondContact OD1-N 3.49Å
351	T	97.3	Very high	97.7	Very high	11 Å²	11	42.4 Å²	42.4	7%	0.067	22%	0.215	C	C	.	.			trans	-77.2	129.8	-174.7	-63.8	0	0	0	0	111.1	P125 D345 D348 Q353	P125-T351 WeakPolarHBondContact CB-O 3.33Å; P125-T351 HydrophobicContact CG-CG2 4.24Å; D345-T351 VanDerWaalsContact O-CB 3.29Å; D345-T351 WeakPolarHBondContact O-CB 3.46Å; D345-T351 PolarHBondContact O-OG1 3.45Å; D348-T351 WeakPolarHBondContact O-CB 3.27Å; D348-T351 PolarHBondContact O-N 2.83Å; D348-T351 VanDerWaalsContact O-N 3.1Å; T351-Q353 VanDerWaalsContact CG2-O 3.23Å; T351-Q353 WeakPolarHBondContact CG2-O 3.27Å
352	E	98	Very high	97.7	Very high	65 Å²	65	43 Å²	43	30%	0.304	22%	0.217	S	C	.	.	S	Bend	trans	-103.5	-21.5	170.4	-72.7	-168.9	-150.1	0	0	112.4	P125 H128 Q304 R341 P342	P125-E352 WeakPolarHBondContact CG-O 3.23Å; H128-E352 PolarHBondContact CE1-O 3.44Å; H128-E352 VanDerWaalsContact CE1-O 3.28Å; Q304-E352 PolarHBondContact NE2-OE2 2.82Å; R341-E352 HydrophobicContact CG-CB 4.46Å; R341-E352 IonicContact CZ-OE2 3.83Å; R341-E352 IonicContact NH1-OE2 3.59Å; R341-E352 PolarHBondContact NH1-OE2 3.31Å; R341-E352 PolarHBondContact NH2-O 3.31Å; P342-E352 HydrophobicContact CG-CB 3.96Å; P342-E352 HydrophobicContact CG-CG 3.8Å; P342-E352 PolarHBondContact O-N 3.08Å; P342-E352 VanDerWaalsContact O-N 3.08Å
353	Q	98.6	Very high	97.7	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.225	C	C	.	.	B	Isolated β-bridge	trans	-134.7	120.2	-178.6	177.9	172.4	-52.6	0	0	111.2	Q310 P342 V343 G344 T351 I393	Q310-Q353 HydrophobicContact CB-CG 4.17Å; Q310-Q353 HydrophobicContact CG-CG 3.97Å; P342-Q353 PolarHBondContact O-N 3.04Å; P342-Q353 VanDerWaalsContact O-N 3.1Å; V343-Q353 VanDerWaalsContact CA-O 3.27Å; V343-Q353 WeakPolarHBondContact CA-O 3.31Å; V343-Q353 HydrophobicContact CG1-CB 4.46Å; V343-Q353 HydrophobicContact CG1-CG 4.2Å; V343-Q353 WeakPolarHBondContact CG1-O 3.3Å; V343-Q353 HydrophobicContact CG2-CB 4.06Å; V343-Q353 HydrophobicContact CG2-CG 4.19Å; G344-Q353 PolarHBondContact N-O 3.01Å; G344-Q353 VanDerWaalsContact N-O 3.12Å; T351-Q353 VanDerWaalsContact CG2-O 3.23Å; T351-Q353 WeakPolarHBondContact CG2-O 3.27Å; Q353-I393 PolarHBondContact NE2-O 2.94Å
354	G	98.3	Very high	97.8	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.233	C	C	.	.			trans	-89.8	-160.3	170.2	0	0	0	0	0	113.3	G123 Q310 F392	G123-G354 WeakPolarHBondContact O-CA 3.44Å; Q310-G354 WeakPolarHBondContact CG-O 3.39Å; G354-F392 VanDerWaalsContact C-CE1 3.49Å
355	P	98.6	Very high	97.9	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	22%	0.223	C	C	.	.			trans	-76.9	168.5	177.8	37.3	-41.3	0	0	0	112.1	P54 G123 Q310 L391 F392	P54-P355 HydrophobicContact CB-CB 4.22Å; P54-P355 HydrophobicContact CB-CG 3.77Å; P54-P355 HydrophobicContact CG-CG 3.9Å; P54-P355 WeakPolarHBondContact O-CB 3.43Å; G123-P355 WeakPolarHBondContact O-CD 3.43Å; Q310-P355 WeakPolarHBondContact CG-O 3.46Å; P355-L391 CarbonylContact C-O 3.49Å; P355-L391 WeakPolarHBondContact CA-O 3.41Å; P355-L391 HydrophobicContact CB-CB 4.11Å; P355-F392 HydrophobicContact CB-CD1 3.97Å; P355-F392 HydrophobicContact CB-CD2 4.32Å; P355-F392 HydrophobicContact CB-CE1 3.81Å; P355-F392 HydrophobicContact CB-CE2 4.15Å; P355-F392 HydrophobicContact CB-CG 4.24Å; P355-F392 HydrophobicContact CB-CZ 3.91Å; P355-F392 VanDerWaalsContact CD-CE1 3.43Å; P355-F392 HydrophobicContact CG-CE1 4.17Å; P355-F392 HydrophobicContact CG-CZ 4.18Å; P355-F392 VanDerWaalsContact N-CE1 3.25Å
356	Q	98.8	Very high	98	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	22%	0.219	C	C	.	.			trans	-76.7	156.3	166.9	-47.6	-48	-84.9	0	0	109.9	P54 Q310 D358 F362 I365 L391 I393	P54-Q356 WeakPolarHBondContact CB-O 3.34Å; Q310-Q356 PolarHBondContact O-OE1 3.5Å; Q356-D358 PolarHBondContact O-N 3.34Å; Q356-F362 HydrophobicContact CB-CB 4.48Å; Q356-F362 HydrophobicContact CG-CD2 4.22Å; Q356-I365 HydrophobicContact CB-CD1 4.34Å; Q356-I365 HydrophobicContact CG-CD1 3.72Å; Q356-L391 HydrophobicContact CB-CB 4.34Å; Q356-L391 WeakPolarHBondContact CG-O 3.35Å; Q356-L391 PolarHBondContact N-O 3.29Å; Q356-L391 WeakPolarHBondContact O-CB 3.44Å; Q356-L391 WeakPolarHBondContact O-CD1 3.31Å; Q356-I393 HydrophobicContact CG-CD1 3.74Å; Q356-I393 HydrophobicContact CG-CG1 4Å
357	I	98.7	Very high	98	Very high	10 Å²	10	49.7 Å²	49.7	5%	0.051	24%	0.238	C	C	.	.	S	Bend	trans	-62.9	-40.5	-168.1	-171.3	62.1	0	0	0	115.1	P54 W180 Q208 T209 Q361	P54-I357 WeakPolarHBondContact CB-O 3.31Å; W180-I357 HydrophobicContact CB-CD1 4.45Å; W180-I357 HydrophobicContact CB-CG1 4.21Å; W180-I357 HydrophobicContact CD2-CB 4.05Å; W180-I357 HydrophobicContact CD2-CG1 3.79Å; W180-I357 HydrophobicContact CD2-CG2 3.77Å; W180-I357 HydrophobicContact CE3-CB 3.53Å; W180-I357 HydrophobicContact CE3-CD1 4.15Å; W180-I357 HydrophobicContact CE3-CG1 3.56Å; W180-I357 HydrophobicContact CE3-CG2 3.61Å; W180-I357 HydrophobicContact CG-CG1 4.05Å; W180-I357 HydrophobicContact CH2-CB 4.11Å; W180-I357 HydrophobicContact CH2-CG2 3.44Å; W180-I357 VanDerWaalsContact CH2-CG2 3.44Å; W180-I357 HydrophobicContact CZ2-CG2 3.62Å; W180-I357 HydrophobicContact CZ3-CB 3.58Å; W180-I357 HydrophobicContact CZ3-CG1 4.17Å; W180-I357 HydrophobicContact CZ3-CG2 3.46Å; W180-I357 VanDerWaalsContact CZ3-CG2 3.46Å; Q208-I357 HydrophobicContact CB-CD1 4.25Å; Q208-I357 HydrophobicContact CB-CG1 3.97Å; Q208-I357 HydrophobicContact CG-CG1 4.14Å; T209-I357 HydrophobicContact CG2-CD1 3.85Å; I357-Q361 HydrophobicContact CG2-CB 3.85Å; I357-Q361 HydrophobicContact CG2-CG 4.16Å
358	D	98.4	Very high	98.1	Very high	38 Å²	38	49 Å²	49	20%	0.203	24%	0.235	C	C	.	.	S	Bend	trans	-156.2	168.8	-175.3	70.9	29.5	0	0	0	111.6	Q208 Q356 K360 Q361 F362 L391	Q208-D358 PolarHBondContact NE2-OD2 3.41Å; Q356-D358 PolarHBondContact O-N 3.34Å; D358-K360 PolarHBondContact O-N 2.97Å; D358-K360 WeakPolarHBondContact OD1-CA 3.14Å; D358-K360 WeakPolarHBondContact OD1-CB 3.27Å; D358-K360 PolarHBondContact OD1-N 3.46Å; D358-Q361 PolarHBondContact O-N 2.91Å; D358-Q361 PolarHBondContact OD1-N 2.97Å; D358-F362 WeakPolarHBondContact O-CB 3.41Å; D358-F362 PolarHBondContact O-N 3.04Å; D358-L391 VanDerWaalsContact CA-CD1 3.42Å
359	Q	97.9	Very high	98.2	Very high	92 Å²	92	45.9 Å²	45.9	43%	0.43	22%	0.218	S	C	.	.	H	α-helix	trans	-61.8	-32.8	-176.8	-170.3	64.3	61.1	0	0	112.6	N363	Q359-N363 PolarHBondContact NE2-OD1 3.09Å; Q359-N363 WeakPolarHBondContact O-CB 3.46Å; Q359-N363 PolarHBondContact O-N 2.94Å; Q359-N363 PolarHBondContact O-ND2 2.88Å; Q359-N363 PolarHBondContact O-OD1 3.01Å
360	K	98.3	Very high	98.4	Very high	171 Å²	171	46.2 Å²	46.2	74%	0.743	22%	0.215	S	C	*	.	H	α-helix	trans	-67.3	-46.4	-179.5	-179.7	-178.5	176.8	-178.9	0	109.9	D358 N363 K364	D358-K360 PolarHBondContact O-N 2.97Å; D358-K360 WeakPolarHBondContact OD1-CA 3.14Å; D358-K360 WeakPolarHBondContact OD1-CB 3.27Å; D358-K360 PolarHBondContact OD1-N 3.46Å; K360-N363 PolarHBondContact O-N 3Å; K360-K364 WeakPolarHBondContact O-CB 3.45Å; K360-K364 PolarHBondContact O-N 3.32Å
361	Q	98.7	Very high	98.5	Very high	20 Å²	20	38.7 Å²	38.7	9%	0.093	18%	0.184	C	C	.	.	H	α-helix	trans	-66.8	-43.7	177.6	-173.4	52.8	35.7	0	0	111.1	W180 I357 D358 N363 K364 I365 I412 F413	W180-Q361 HydrophobicContact CH2-CG 4.18Å; W180-Q361 HydrophobicContact CZ2-CG 4.38Å; I357-Q361 HydrophobicContact CG2-CB 3.85Å; I357-Q361 HydrophobicContact CG2-CG 4.16Å; D358-Q361 PolarHBondContact O-N 2.91Å; D358-Q361 PolarHBondContact OD1-N 2.97Å; Q361-N363 PolarHBondContact O-N 3.07Å; Q361-K364 PolarHBondContact O-N 2.83Å; Q361-I365 HydrophobicContact CG-CD1 3.96Å; Q361-I365 WeakPolarHBondContact O-CD1 3.38Å; Q361-I365 VanDerWaalsContact O-CG1 3.26Å; Q361-I365 WeakPolarHBondContact O-CG1 3.47Å; Q361-I365 PolarHBondContact O-N 2.9Å; Q361-I412 PolarHBondContact NE2-O 3.4Å; Q361-F413 PolarHBondContact NE2-O 3.49Å
362	F	98.5	Very high	98.6	Very high	23 Å²	23	38.2 Å²	38.2	10%	0.101	18%	0.18	C	C	.	.	H	α-helix	trans	-54.3	-49.5	174.7	-177.7	-93.3	0	0	0	112.2	Q356 D358 I365 L366 A385 L391 I393	Q356-F362 HydrophobicContact CB-CB 4.48Å; Q356-F362 HydrophobicContact CG-CD2 4.22Å; D358-F362 WeakPolarHBondContact O-CB 3.41Å; D358-F362 PolarHBondContact O-N 3.04Å; F362-I365 PolarHBondContact O-N 3.43Å; F362-L366 HydrophobicContact CD1-CD1 3.85Å; F362-L366 HydrophobicContact CE1-CD1 3.35Å; F362-L366 HydrophobicContact CE1-CG 4.34Å; F362-L366 HydrophobicContact CZ-CD1 3.82Å; F362-L366 WeakPolarHBondContact O-CG 3.3Å; F362-L366 PolarHBondContact O-N 3Å; F362-L366 VanDerWaalsContact O-N 3.15Å; F362-A385 HydrophobicContact CE2-CB 4.24Å; F362-A385 HydrophobicContact CZ-CB 3.59Å; F362-L391 HydrophobicContact CB-CB 4.45Å; F362-L391 HydrophobicContact CB-CD2 4.13Å; F362-L391 HydrophobicContact CD1-CD2 4.47Å; F362-L391 HydrophobicContact CD2-CB 3.83Å; F362-L391 HydrophobicContact CD2-CD2 4.19Å; F362-L391 HydrophobicContact CE2-CB 4.42Å; F362-L391 HydrophobicContact CG-CB 4.38Å; F362-L391 HydrophobicContact CG-CD2 4.03Å; F362-I393 HydrophobicContact CD2-CD1 3.78Å; F362-I393 HydrophobicContact CD2-CG1 3.64Å; F362-I393 HydrophobicContact CE2-CD1 4.09Å; F362-I393 HydrophobicContact CE2-CG1 3.51Å; F362-I393 HydrophobicContact CG-CD1 4.4Å; F362-I393 HydrophobicContact CZ-CG1 4.43Å
363	N	98.6	Very high	98.6	Very high	85 Å²	85	38.7 Å²	38.7	46%	0.455	18%	0.181	S	C	.	.	H	α-helix	trans	-64	-42.7	178.9	-69.9	-11.4	0	0	0	112.3	Q359 K360 Q361 I365 L366 E367	Q359-N363 PolarHBondContact NE2-OD1 3.09Å; Q359-N363 WeakPolarHBondContact O-CB 3.46Å; Q359-N363 PolarHBondContact O-N 2.94Å; Q359-N363 PolarHBondContact O-ND2 2.88Å; Q359-N363 PolarHBondContact O-OD1 3.01Å; K360-N363 PolarHBondContact O-N 3Å; Q361-N363 PolarHBondContact O-N 3.07Å; N363-I365 VanDerWaalsContact C-N 3.31Å; N363-I365 PolarHBondContact O-N 2.88Å; N363-L366 PolarHBondContact O-N 2.95Å; N363-E367 WeakPolarHBondContact O-CB 3.14Å; N363-E367 PolarHBondContact O-N 2.84Å
364	K	98.7	Very high	98.6	Very high	80 Å²	80	47 Å²	47	35%	0.348	22%	0.218	S	C	.	.	H	α-helix	trans	-59	-42.7	177	-179.7	-171.6	168.6	-165.3	0	111.6	K360 Q361 E367 L368 E411	K360-K364 WeakPolarHBondContact O-CB 3.45Å; K360-K364 PolarHBondContact O-N 3.32Å; Q361-K364 PolarHBondContact O-N 2.83Å; K364-E367 WeakPolarHBondContact O-CB 3.15Å; K364-E367 PolarHBondContact O-N 2.99Å; K364-L368 HydrophobicContact CG-CD1 4.4Å; K364-L368 PolarHBondContact O-N 3.21Å; K364-L368 VanDerWaalsContact O-N 3.1Å; K364-E411 WeakPolarHBondContact CE-O 3.41Å; K364-E411 PolarHBondContact NZ-O 3.05Å
365	I	98.8	Very high	98.6	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-65.9	-46.8	-179.5	-64.2	156.8	0	0	0	110.5	Q356 Q361 F362 N363 E367 L368 I369 I393 I412 F413 V416	Q356-I365 HydrophobicContact CB-CD1 4.34Å; Q356-I365 HydrophobicContact CG-CD1 3.72Å; Q361-I365 HydrophobicContact CG-CD1 3.96Å; Q361-I365 WeakPolarHBondContact O-CD1 3.38Å; Q361-I365 VanDerWaalsContact O-CG1 3.26Å; Q361-I365 WeakPolarHBondContact O-CG1 3.47Å; Q361-I365 PolarHBondContact O-N 2.9Å; F362-I365 PolarHBondContact O-N 3.43Å; N363-I365 VanDerWaalsContact C-N 3.31Å; N363-I365 PolarHBondContact O-N 2.88Å; I365-E367 VanDerWaalsContact C-N 3.28Å; I365-E367 PolarHBondContact O-N 3.28Å; I365-L368 PolarHBondContact O-N 3.32Å; I365-I369 HydrophobicContact CG2-CD1 3.95Å; I365-I369 HydrophobicContact CG2-CG1 4.46Å; I365-I369 WeakPolarHBondContact O-CG1 3.38Å; I365-I369 PolarHBondContact O-N 2.72Å; I365-I393 HydrophobicContact CB-CD1 3.65Å; I365-I393 HydrophobicContact CD1-CD1 3.94Å; I365-I393 HydrophobicContact CG1-CD1 4.44Å; I365-I393 HydrophobicContact CG2-CD1 3.5Å; I365-I393 HydrophobicContact CG2-CG2 4.44Å; I365-I412 HydrophobicContact CG1-CG2 4.38Å; I365-I412 HydrophobicContact CG2-CG2 4.17Å; I365-F413 WeakPolarHBondContact CD1-O 3.2Å; I365-V416 HydrophobicContact CG2-CG2 4.16Å
366	L	98.7	Very high	98.6	Very high	43 Å²	43	53.3 Å²	53.3	23%	0.225	26%	0.262	C	S	.	.	H	α-helix	trans	-61.4	-37.9	177.8	-67	-178.8	0	0	0	111.9	F362 N363 I369 E370 A385 I393	F362-L366 HydrophobicContact CD1-CD1 3.85Å; F362-L366 HydrophobicContact CE1-CD1 3.35Å; F362-L366 HydrophobicContact CE1-CG 4.34Å; F362-L366 HydrophobicContact CZ-CD1 3.82Å; F362-L366 WeakPolarHBondContact O-CG 3.3Å; F362-L366 PolarHBondContact O-N 3Å; F362-L366 VanDerWaalsContact O-N 3.15Å; N363-L366 PolarHBondContact O-N 2.95Å; L366-I369 HydrophobicContact CD2-CD1 4.32Å; L366-I369 WeakPolarHBondContact O-CB 3.43Å; L366-I369 PolarHBondContact O-N 2.75Å; L366-E370 WeakPolarHBondContact O-CG 3.45Å; L366-E370 PolarHBondContact O-N 3.13Å; L366-A385 HydrophobicContact CD1-CB 4.47Å; L366-I393 HydrophobicContact CD2-CD1 4.12Å; L366-I393 HydrophobicContact CD2-CG1 4.3Å; L366-I393 HydrophobicContact CD2-CG2 4.45Å; L366-I393 HydrophobicContact CG-CD1 4.21Å
367	E	98.8	Very high	98.6	Very high	87 Å²	87	53.7 Å²	53.7	41%	0.407	27%	0.265	S	S	.	.	H	α-helix	trans	-59.9	-46.4	174.7	-171.4	-79.2	145.6	0	0	112.1	N363 K364 I365 E370 S371 R406	N363-E367 WeakPolarHBondContact O-CB 3.14Å; N363-E367 PolarHBondContact O-N 2.84Å; K364-E367 WeakPolarHBondContact O-CB 3.15Å; K364-E367 PolarHBondContact O-N 2.99Å; I365-E367 VanDerWaalsContact C-N 3.28Å; I365-E367 PolarHBondContact O-N 3.28Å; E367-E370 PolarHBondContact O-N 3.33Å; E367-S371 PolarHBondContact O-N 2.83Å; E367-R406 IonicContact OE1-CZ 2.83Å; E367-R406 IonicContact OE1-NH1 2.7Å; E367-R406 PolarHBondContact OE1-NH1 2.83Å; E367-R406 IonicContact OE1-NH2 2.96Å; E367-R406 PolarHBondContact OE1-NH2 3.21Å; E367-R406 IonicContact OE2-CZ 3.77Å; E367-R406 IonicContact OE2-NH1 2.78Å; E367-R406 IonicContact OE2-NH2 2.83Å; E367-R406 PolarHBondContact OE2-NH2 3.02Å
368	L	98.8	Very high	98.6	Very high	1 Å²	1	58.5 Å²	58.5	1%	0.005	29%	0.286	C	S	.	.	H	α-helix	trans	-69.2	-32.7	177.4	-78	168	0	0	0	112.8	K364 I365 S371 G372 R406 I407 E410 I412	K364-L368 HydrophobicContact CG-CD1 4.4Å; K364-L368 PolarHBondContact O-N 3.21Å; K364-L368 VanDerWaalsContact O-N 3.1Å; I365-L368 PolarHBondContact O-N 3.32Å; L368-S371 PolarHBondContact O-N 2.85Å; L368-G372 PolarHBondContact O-N 3.49Å; L368-R406 HydrophobicContact CD2-CB 4.19Å; L368-I407 WeakPolarHBondContact O-CG2 3.33Å; L368-E410 HydrophobicContact CD2-CB 4.24Å; L368-I412 HydrophobicContact CB-CG1 4.45Å; L368-I412 HydrophobicContact CB-CG2 4.38Å; L368-I412 HydrophobicContact CD1-CB 4.19Å; L368-I412 HydrophobicContact CD1-CG1 3.99Å; L368-I412 HydrophobicContact CD1-CG2 4.25Å
369	I	98.9	Very high	98.6	Very high	1 Å²	1	59.9 Å²	59.9	1%	0.005	29%	0.293	C	S	.	.	H	α-helix	trans	-60.7	-46.2	170.6	-73.3	170.3	0	0	0	110.3	I365 L366 S371 G372 K373 G383 I393 T396 F398 V416	I365-I369 HydrophobicContact CG2-CD1 3.95Å; I365-I369 HydrophobicContact CG2-CG1 4.46Å; I365-I369 WeakPolarHBondContact O-CG1 3.38Å; I365-I369 PolarHBondContact O-N 2.72Å; L366-I369 HydrophobicContact CD2-CD1 4.32Å; L366-I369 WeakPolarHBondContact O-CB 3.43Å; L366-I369 PolarHBondContact O-N 2.75Å; I369-S371 VanDerWaalsContact C-N 3.35Å; I369-G372 PolarHBondContact O-N 2.9Å; I369-K373 PolarHBondContact O-N 3.07Å; I369-G383 WeakPolarHBondContact CG2-O 3.48Å; I369-I393 HydrophobicContact CD1-CG2 3.97Å; I369-T396 HydrophobicContact CG1-CG2 4.44Å; I369-F398 HydrophobicContact CG2-CZ 4.47Å; I369-F398 WeakPolarHBondContact O-CZ 2.83Å; I369-V416 HydrophobicContact CD1-CG2 3.88Å; I369-V416 HydrophobicContact CG1-CG2 3.66Å
370	E	98.8	Very high	98.7	Very high	79 Å²	79	57.4 Å²	57.4	37%	0.369	28%	0.281	S	S	.	.	H	α-helix	trans	-65.1	-37.3	177.1	-70.3	-53.2	128.9	0	0	112.5	L366 E367 K373 K374	L366-E370 WeakPolarHBondContact O-CG 3.45Å; L366-E370 PolarHBondContact O-N 3.13Å; E367-E370 PolarHBondContact O-N 3.33Å; E370-K373 PolarHBondContact O-N 3.36Å; E370-K373 IonicContact OE1-NZ 3.47Å; E370-K373 PolarHBondContact OE1-NZ 3.07Å; E370-K373 IonicContact OE2-NZ 3.72Å; E370-K374 WeakPolarHBondContact O-CG 3.41Å; E370-K374 PolarHBondContact O-N 3.08Å
371	S	98.8	Very high	98.7	Very high	7 Å²	7	50 Å²	50	5%	0.049	25%	0.251	C	S	.	.	H	α-helix	trans	-59.7	-44.3	172	158.1	0	0	0	0	111.8	E367 L368 I369 K373 K374 E375 R406	E367-S371 PolarHBondContact O-N 2.83Å; L368-S371 PolarHBondContact O-N 2.85Å; I369-S371 VanDerWaalsContact C-N 3.35Å; S371-K373 VanDerWaalsContact C-N 3.32Å; S371-K373 PolarHBondContact O-N 2.89Å; S371-K374 PolarHBondContact O-N 3.37Å; S371-K374 VanDerWaalsContact O-N 3.16Å; S371-E375 WeakPolarHBondContact O-CB 3.31Å; S371-E375 WeakPolarHBondContact O-CG 3.3Å; S371-E375 PolarHBondContact O-N 3.3Å; S371-E375 PolarHBondContact OG-OE1 3.4Å; S371-R406 WeakPolarHBondContact OG-CB 3.48Å; S371-R406 WeakPolarHBondContact OG-CD 3.22Å
372	G	98.8	Very high	98.7	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-55.4	-44.9	175.3	0	0	0	0	0	112.9	L368 I369 G376 A377	L368-G372 PolarHBondContact O-N 3.49Å; I369-G372 PolarHBondContact O-N 2.9Å; G372-G376 PolarHBondContact O-N 2.76Å; G372-A377 VanDerWaalsContact O-CB 3.3Å; G372-A377 WeakPolarHBondContact O-CB 3.4Å; G372-A377 PolarHBondContact O-N 3.21Å; G372-A377 VanDerWaalsContact O-N 3.09Å
373	K	98.6	Very high	98.6	Very high	75 Å²	75	49.6 Å²	49.6	33%	0.326	26%	0.258	S	S	.	.	H	α-helix	trans	-62.9	-46.6	175.6	-61.3	174	-168.2	171.1	0	111.8	I369 E370 S371 E375 G376 G383 F398	I369-K373 PolarHBondContact O-N 3.07Å; E370-K373 PolarHBondContact O-N 3.36Å; E370-K373 IonicContact OE1-NZ 3.47Å; E370-K373 PolarHBondContact OE1-NZ 3.07Å; E370-K373 IonicContact OE2-NZ 3.72Å; S371-K373 VanDerWaalsContact C-N 3.32Å; S371-K373 PolarHBondContact O-N 2.89Å; K373-E375 VanDerWaalsContact C-N 3.34Å; K373-E375 PolarHBondContact O-N 2.89Å; K373-G376 PolarHBondContact O-N 3.37Å; K373-G383 PolarHBondContact NZ-O 3Å; K373-F398 HydrophobicContact CG-CE1 4.1Å; K373-F398 HydrophobicContact CG-CZ 3.99Å
374	K	98.7	Very high	98.5	Very high	175 Å²	175	47.7 Å²	47.7	76%	0.761	25%	0.252	S	S	*	.	H	α-helix	trans	-68.2	-31	-177.2	-73.4	175.4	-178.3	176.4	0	113.3	E370 S371 G376	E370-K374 WeakPolarHBondContact O-CG 3.41Å; E370-K374 PolarHBondContact O-N 3.08Å; S371-K374 PolarHBondContact O-N 3.37Å; S371-K374 VanDerWaalsContact O-N 3.16Å; K374-G376 VanDerWaalsContact C-N 3.28Å
375	E	98.6	Very high	98.4	Very high	76 Å²	76	45.3 Å²	45.3	36%	0.355	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	0.3	-179	-69.7	171.9	-160.2	0	0	113.2	S371 K373 M405 R406	S371-E375 WeakPolarHBondContact O-CB 3.31Å; S371-E375 WeakPolarHBondContact O-CG 3.3Å; S371-E375 PolarHBondContact O-N 3.3Å; S371-E375 PolarHBondContact OG-OE1 3.4Å; K373-E375 VanDerWaalsContact C-N 3.34Å; K373-E375 PolarHBondContact O-N 2.89Å; E375-M405 HydrophobicContact CB-CG 4.18Å; E375-M405 WeakPolarHBondContact O-CE 3.4Å; E375-M405 WeakPolarHBondContact OE2-CA 3.35Å; E375-M405 WeakPolarHBondContact OE2-CB 3.2Å; E375-R406 VanDerWaalsContact OE1-CD 3.24Å; E375-R406 WeakPolarHBondContact OE1-CD 3.22Å; E375-R406 WeakPolarHBondContact OE1-CG 3.43Å; E375-R406 PolarHBondContact OE2-N 3.2Å
376	G	98.4	Very high	98.1	Very high	56 Å²	56	48.7 Å²	48.7	58%	0.577	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.9	10.8	171.9	0	0	0	0	0	115.2	G372 K373 K374	G372-G376 PolarHBondContact O-N 2.76Å; K373-G376 PolarHBondContact O-N 3.37Å; K374-G376 VanDerWaalsContact C-N 3.28Å
377	A	98.7	Very high	97.2	Very high	8 Å²	8	54.8 Å²	54.8	7%	0.066	29%	0.291	C	S	.	.			trans	-65.8	140.9	168.7	0	0	0	0	0	110	G372 L379 F398 V401 M405 I407	G372-A377 VanDerWaalsContact O-CB 3.3Å; G372-A377 WeakPolarHBondContact O-CB 3.4Å; G372-A377 PolarHBondContact O-N 3.21Å; G372-A377 VanDerWaalsContact O-N 3.09Å; A377-L379 PolarHBondContact O-N 2.79Å; A377-F398 HydrophobicContact CB-CB 4.21Å; A377-F398 HydrophobicContact CB-CD1 3.48Å; A377-F398 VanDerWaalsContact CB-CD1 3.48Å; A377-F398 HydrophobicContact CB-CE1 4.12Å; A377-F398 HydrophobicContact CB-CG 4.1Å; A377-V401 HydrophobicContact CB-CG2 4.07Å; A377-M405 HydrophobicContact CB-CE 4.15Å; A377-M405 HydrophobicContact CB-SD 3.78Å; A377-I407 HydrophobicContact CB-CD1 3.84Å
378	K	98.8	Very high	95.8	Very high	112 Å²	112	58 Å²	58	49%	0.487	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	111.8	179.1	-179	176	176.5	-123.2	0	109.8	E380 F398 S399	K378-E380 WeakPolarHBondContact CD-OE1 3.25Å; K378-E380 WeakPolarHBondContact CE-OE1 3.41Å; K378-E380 VanDerWaalsContact NZ-CD 3.26Å; K378-E380 IonicContact NZ-OE1 3.64Å; K378-E380 PolarHBondContact NZ-OE1 3.24Å; K378-E380 IonicContact NZ-OE2 3.68Å; K378-E380 PolarHBondContact NZ-OE2 3.46Å; K378-E380 PolarHBondContact O-N 3.19Å; K378-F398 CarbonylContact O-C 3.52Å; K378-F398 WeakPolarHBondContact O-CA 3.43Å; K378-S399 PolarHBondContact N-O 3.19Å; K378-S399 PolarHBondContact O-N 2.85Å
379	L	98.9	Very high	94.4	Very high	67 Å²	67	66 Å²	66	35%	0.351	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	116.8	173.4	-179.5	70.8	0	0	0	110.2	A377 C381 T396 F398	A377-L379 PolarHBondContact O-N 2.79Å; L379-C381 WeakPolarHBondContact CD1-O 3.39Å; L379-T396 HydrophobicContact CD1-CG2 3.71Å; L379-F398 HydrophobicContact CB-CD1 4.22Å; L379-F398 HydrophobicContact CB-CE1 3.8Å; L379-F398 HydrophobicContact CB-CZ 4.47Å; L379-F398 HydrophobicContact CD1-CD1 4.37Å; L379-F398 HydrophobicContact CD1-CE1 3.88Å; L379-F398 HydrophobicContact CD1-CE2 4.15Å; L379-F398 HydrophobicContact CD1-CZ 3.76Å; L379-F398 HydrophobicContact CG-CE1 4.45Å
380	E	98.8	Very high	93.9	Very high	40 Å²	40	66.6 Å²	66.6	19%	0.187	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	-33.2	-177.2	-59.7	-70	-175.1	0	0	113.2	V331 V335 R339 K378 V397 S399	V331-E380 HydrophobicContact CG1-CG 4.06Å; V335-E380 HydrophobicContact CG2-CB 3.4Å; V335-E380 HydrophobicContact CG2-CG 4.04Å; R339-E380 PolarHBondContact NH2-O 3.34Å; K378-E380 WeakPolarHBondContact CD-OE1 3.25Å; K378-E380 WeakPolarHBondContact CE-OE1 3.41Å; K378-E380 VanDerWaalsContact NZ-CD 3.26Å; K378-E380 IonicContact NZ-OE1 3.64Å; K378-E380 PolarHBondContact NZ-OE1 3.24Å; K378-E380 IonicContact NZ-OE2 3.68Å; K378-E380 PolarHBondContact NZ-OE2 3.46Å; K378-E380 PolarHBondContact O-N 3.19Å; E380-V397 HydrophobicContact CB-CB 4.36Å; E380-V397 HydrophobicContact CB-CG1 4.38Å; E380-V397 PolarHBondContact N-O 2.83Å; E380-S399 WeakPolarHBondContact OE1-CB 3.42Å; E380-S399 PolarHBondContact OE1-OG 3.25Å
381	C	98.7	Very high	93.8	Very high	14 Å²	14	63.1 Å²	63.1	10%	0.095	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.4	165.3	172.7	68.8	0	0	0	0	112	V335 R339 L379 T396 V397	V335-C381 HydrophobicContact CG1-CB 4.18Å; R339-C381 HydrophobicContact CG-CB 4.07Å; L379-C381 WeakPolarHBondContact CD1-O 3.39Å; C381-T396 WeakPolarHBondContact O-CA 3.36Å; C381-V397 PolarHBondContact O-N 3.2Å
382	G	98.2	Very high	93.8	Very high	33 Å²	33	63.7 Å²	63.7	34%	0.34	34%	0.338	S	S	.	.			trans	72.1	-129.9	178.5	0	0	0	0	0	112	P395	G382-P395 WeakPolarHBondContact CA-O 3.33Å
383	G	97.2	Very high	93.8	Very high	2 Å²	2	63.7 Å²	63.7	2%	0.021	34%	0.338	C	S	.	.			trans	85	16.6	174.1	0	0	0	0	0	115.1	I369 K373 T396	I369-G383 WeakPolarHBondContact CG2-O 3.48Å; K373-G383 PolarHBondContact NZ-O 3Å; G383-T396 PolarHBondContact N-OG1 2.82Å
384	S	96.8	Very high	93.8	Very high	46 Å²	46	63.9 Å²	63.9	32%	0.322	34%	0.339	S	S	.	.	S	Bend	trans	-153.4	169.6	175.9	76	0	0	0	0	111.2	K394	S384-K394 WeakPolarHBondContact O-CB 3.31Å; S384-K394 PolarHBondContact O-N 3.41Å; S384-K394 WeakPolarHBondContact OG-CD 3.39Å; S384-K394 PolarHBondContact OG-NZ 2.97Å
385	A	96.3	Very high	93.8	Very high	29 Å²	29	56.2 Å²	56.2	24%	0.24	31%	0.307	C	S	.	.	B	Isolated β-bridge	trans	-59.6	159.6	161.7	0	0	0	0	0	111.6	F362 L366 F392 K394	F362-A385 HydrophobicContact CE2-CB 4.24Å; F362-A385 HydrophobicContact CZ-CB 3.59Å; L366-A385 HydrophobicContact CD1-CB 4.47Å; A385-F392 WeakPolarHBondContact CA-O 3.48Å; A385-K394 WeakPolarHBondContact O-CE 3.46Å
386	M	92.9	Very high	93.8	Very high	72 Å²	72	52.6 Å²	52.6	36%	0.355	29%	0.29	S	S	.	.	P	Polyproline II helix	trans	-78.3	149.4	158.7	-71.9	179.7	64.1	0	0	109.6	V343 F392 K394	V343-M386 HydrophobicContact CB-CE 4.4Å; V343-M386 HydrophobicContact CB-SD 3.61Å; V343-M386 HydrophobicContact CG1-CE 4.47Å; V343-M386 HydrophobicContact CG1-SD 3.36Å; V343-M386 WeakPolarHBondContact CG1-SD 3.39Å; V343-M386 HydrophobicContact CG2-SD 4.38Å; M386-F392 HydrophobicContact CB-CB 3.94Å; M386-F392 HydrophobicContact CG-CB 4.27Å; M386-F392 PolarHBondContact N-O 2.8Å; M386-F392 HydrophobicContact SD-CB 3.98Å; M386-K394 HydrophobicContact CG-CG 3.76Å
387	E	78.4	Confident	93.8	Very high	170 Å²	170	49.9 Å²	49.9	79%	0.794	26%	0.263	S	S	*	.	S	Bend	trans	-76.2	153.9	173	-67.7	171	-160.6	0	0	109.6
388	D	69.3	Low	93.8	Very high	154 Å²	154	49.5 Å²	49.5	82%	0.824	26%	0.259	S	S	*	.	S	Bend	trans	69.3	157.7	-177.1	-57.8	-44.4	0	0	0	116.9
389	K	70.4	Confident	93.8	Very high	169 Å²	169	44.2 Å²	44.2	74%	0.735	24%	0.237	S	C	*	.	S	Bend	trans	-38.3	145.6	-160.3	-73.2	-177.7	174.4	-175	0	116.8
390	G	88	Confident	93.8	Very high	15 Å²	15	45.2 Å²	45.2	16%	0.155	24%	0.239	C	C	.	.	S	Bend	trans	103.4	-179.5	176.7	0	0	0	0	0	112.7	S55 F392	S55-G390 WeakPolarHBondContact O-CA 3.37Å; G390-F392 PolarHBondContact O-N 3.38Å
391	L	97.4	Very high	93.8	Very high	5 Å²	5	43.6 Å²	43.6	3%	0.026	23%	0.232	C	C	.	.	S	Bend	trans	-102.5	51.3	-175.5	-58.6	174.1	0	0	0	112.2	P54 L57 P355 Q356 D358 F362	P54-L391 HydrophobicContact CB-CD1 4.33Å; P54-L391 PolarHBondContact O-N 3.16Å; L57-L391 HydrophobicContact CD2-CD1 3.94Å; L57-L391 HydrophobicContact CD2-CD2 3.91Å; L57-L391 HydrophobicContact CD2-CG 3.65Å; P355-L391 CarbonylContact C-O 3.49Å; P355-L391 WeakPolarHBondContact CA-O 3.41Å; P355-L391 HydrophobicContact CB-CB 4.11Å; Q356-L391 HydrophobicContact CB-CB 4.34Å; Q356-L391 WeakPolarHBondContact CG-O 3.35Å; Q356-L391 PolarHBondContact N-O 3.29Å; Q356-L391 WeakPolarHBondContact O-CB 3.44Å; Q356-L391 WeakPolarHBondContact O-CD1 3.31Å; D358-L391 VanDerWaalsContact CA-CD1 3.42Å; F362-L391 HydrophobicContact CB-CB 4.45Å; F362-L391 HydrophobicContact CB-CD2 4.13Å; F362-L391 HydrophobicContact CD1-CD2 4.47Å; F362-L391 HydrophobicContact CD2-CB 3.83Å; F362-L391 HydrophobicContact CD2-CD2 4.19Å; F362-L391 HydrophobicContact CE2-CB 4.42Å; F362-L391 HydrophobicContact CG-CB 4.38Å; F362-L391 HydrophobicContact CG-CD2 4.03Å
392	F	98.4	Very high	93.8	Very high	20 Å²	20	45.9 Å²	45.9	9%	0.088	25%	0.246	C	C	.	.			trans	-91.6	131.5	-174	-61.8	-86.5	0	0	0	112.8	V343 G344 G354 P355 A385 M386 G390	V343-F392 HydrophobicContact CG1-CB 4.41Å; V343-F392 HydrophobicContact CG1-CD1 3.81Å; G344-F392 VanDerWaalsContact O-CE1 3.24Å; G344-F392 WeakPolarHBondContact O-CE1 3.45Å; G354-F392 VanDerWaalsContact C-CE1 3.49Å; P355-F392 HydrophobicContact CB-CD1 3.97Å; P355-F392 HydrophobicContact CB-CD2 4.32Å; P355-F392 HydrophobicContact CB-CE1 3.81Å; P355-F392 HydrophobicContact CB-CE2 4.15Å; P355-F392 HydrophobicContact CB-CG 4.24Å; P355-F392 HydrophobicContact CB-CZ 3.91Å; P355-F392 VanDerWaalsContact CD-CE1 3.43Å; P355-F392 HydrophobicContact CG-CE1 4.17Å; P355-F392 HydrophobicContact CG-CZ 4.18Å; P355-F392 VanDerWaalsContact N-CE1 3.25Å; A385-F392 WeakPolarHBondContact CA-O 3.48Å; M386-F392 HydrophobicContact CB-CB 3.94Å; M386-F392 HydrophobicContact CG-CB 4.27Å; M386-F392 PolarHBondContact N-O 2.8Å; M386-F392 HydrophobicContact SD-CB 3.98Å; G390-F392 PolarHBondContact O-N 3.38Å
393	I	98.6	Very high	93.9	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.245	C	C	.	.	B	Isolated β-bridge	trans	-117.4	136.6	176.8	-61.8	-178.8	0	0	0	109.3	Q353 Q356 F362 I365 L366 I369 P415	Q353-I393 PolarHBondContact NE2-O 2.94Å; Q356-I393 HydrophobicContact CG-CD1 3.74Å; Q356-I393 HydrophobicContact CG-CG1 4Å; F362-I393 HydrophobicContact CD2-CD1 3.78Å; F362-I393 HydrophobicContact CD2-CG1 3.64Å; F362-I393 HydrophobicContact CE2-CD1 4.09Å; F362-I393 HydrophobicContact CE2-CG1 3.51Å; F362-I393 HydrophobicContact CG-CD1 4.4Å; F362-I393 HydrophobicContact CZ-CG1 4.43Å; I365-I393 HydrophobicContact CB-CD1 3.65Å; I365-I393 HydrophobicContact CD1-CD1 3.94Å; I365-I393 HydrophobicContact CG1-CD1 4.44Å; I365-I393 HydrophobicContact CG2-CD1 3.5Å; I365-I393 HydrophobicContact CG2-CG2 4.44Å; L366-I393 HydrophobicContact CD2-CD1 4.12Å; L366-I393 HydrophobicContact CD2-CG1 4.3Å; L366-I393 HydrophobicContact CD2-CG2 4.45Å; L366-I393 HydrophobicContact CG-CD1 4.21Å; I369-I393 HydrophobicContact CD1-CG2 3.97Å; I393-P415 HydrophobicContact CB-CG 3.95Å; I393-P415 HydrophobicContact CG2-CG 3.88Å
394	K	98.4	Very high	93.9	Very high	78 Å²	78	52.6 Å²	52.6	34%	0.339	27%	0.274	S	S	.	.			trans	-65.2	137	177.5	-66.6	177.7	-175.5	164.4	0	110.3	S384 A385 M386 T396	S384-K394 WeakPolarHBondContact O-CB 3.31Å; S384-K394 PolarHBondContact O-N 3.41Å; S384-K394 WeakPolarHBondContact OG-CD 3.39Å; S384-K394 PolarHBondContact OG-NZ 2.97Å; A385-K394 WeakPolarHBondContact O-CE 3.46Å; M386-K394 HydrophobicContact CG-CG 3.76Å; K394-T396 PolarHBondContact O-N 3.01Å; K394-T396 VanDerWaalsContact O-N 3.08Å; K394-T396 PolarHBondContact O-OG1 2.79Å
395	P	98.6	Very high	94	Very high	14 Å²	14	51 Å²	51	9%	0.091	26%	0.261	C	S	.	.			trans	-55.2	118	172.2	-23.8	34.5	0	0	0	110.1	F307 A338 R341 V343 G382	F307-P395 HydrophobicContact CD1-CB 4.19Å; F307-P395 HydrophobicContact CE1-CB 3.85Å; F307-P395 HydrophobicContact CZ-CB 4.44Å; A338-P395 HydrophobicContact CB-CB 4.31Å; R341-P395 HydrophobicContact CB-CG 4.15Å; R341-P395 HydrophobicContact CG-CG 4.26Å; V343-P395 HydrophobicContact CG2-CG 3.79Å; G382-P395 WeakPolarHBondContact CA-O 3.33Å
396	T	98.9	Very high	94.1	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	131	-169.1	-60.3	0	0	0	0	110.2	I369 L379 C381 G383 K394 F398 P415 V416 Q417	I369-T396 HydrophobicContact CG1-CG2 4.44Å; L379-T396 HydrophobicContact CD1-CG2 3.71Å; C381-T396 WeakPolarHBondContact O-CA 3.36Å; G383-T396 PolarHBondContact N-OG1 2.82Å; K394-T396 PolarHBondContact O-N 3.01Å; K394-T396 VanDerWaalsContact O-N 3.08Å; K394-T396 PolarHBondContact O-OG1 2.79Å; T396-F398 HydrophobicContact CG2-CD2 3.95Å; T396-F398 HydrophobicContact CG2-CE2 3.65Å; T396-F398 HydrophobicContact CG2-CZ 4.46Å; T396-P415 PolarHBondContact N-O 3.47Å; T396-V416 HydrophobicContact CG2-CG1 4.3Å; T396-V416 CarbonylContact O-C 3.58Å; T396-V416 WeakPolarHBondContact O-CA 3.31Å; T396-Q417 PolarHBondContact O-N 2.86Å
397	V	98.9	Very high	94.4	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	128.8	176.3	-179.4	0	0	0	0	108.8	F307 V335 A338 E380 C381 Q417 I419	F307-V397 HydrophobicContact CZ-CG2 4.14Å; V335-V397 HydrophobicContact CG2-CB 4.36Å; V335-V397 HydrophobicContact CG2-CG1 4.13Å; A338-V397 HydrophobicContact CB-CG2 3.56Å; E380-V397 HydrophobicContact CB-CB 4.36Å; E380-V397 HydrophobicContact CB-CG1 4.38Å; E380-V397 PolarHBondContact N-O 2.83Å; C381-V397 PolarHBondContact O-N 3.2Å; V397-Q417 WeakPolarHBondContact CA-O 3.44Å; V397-Q417 HydrophobicContact CG2-CB 4.31Å; V397-I419 HydrophobicContact CG1-CD1 3.74Å; V397-I419 HydrophobicContact CG1-CG1 4.4Å
398	F	98.9	Very high	95.3	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	130.9	171.2	-79.5	-79.2	0	0	0	109.8	I369 K373 A377 K378 L379 T396 V401 I407 V416 Q417 I419	I369-F398 HydrophobicContact CG2-CZ 4.47Å; I369-F398 WeakPolarHBondContact O-CZ 2.83Å; K373-F398 HydrophobicContact CG-CE1 4.1Å; K373-F398 HydrophobicContact CG-CZ 3.99Å; A377-F398 HydrophobicContact CB-CB 4.21Å; A377-F398 HydrophobicContact CB-CD1 3.48Å; A377-F398 VanDerWaalsContact CB-CD1 3.48Å; A377-F398 HydrophobicContact CB-CE1 4.12Å; A377-F398 HydrophobicContact CB-CG 4.1Å; K378-F398 CarbonylContact O-C 3.52Å; K378-F398 WeakPolarHBondContact O-CA 3.43Å; L379-F398 HydrophobicContact CB-CD1 4.22Å; L379-F398 HydrophobicContact CB-CE1 3.8Å; L379-F398 HydrophobicContact CB-CZ 4.47Å; L379-F398 HydrophobicContact CD1-CD1 4.37Å; L379-F398 HydrophobicContact CD1-CE1 3.88Å; L379-F398 HydrophobicContact CD1-CE2 4.15Å; L379-F398 HydrophobicContact CD1-CZ 3.76Å; L379-F398 HydrophobicContact CG-CE1 4.45Å; T396-F398 HydrophobicContact CG2-CD2 3.95Å; T396-F398 HydrophobicContact CG2-CE2 3.65Å; T396-F398 HydrophobicContact CG2-CZ 4.46Å; F398-V401 HydrophobicContact CB-CG2 3.75Å; F398-I407 HydrophobicContact CB-CD1 4Å; F398-I407 HydrophobicContact CD1-CD1 4.4Å; F398-I407 HydrophobicContact CD2-CD1 3.97Å; F398-I407 HydrophobicContact CG-CD1 3.88Å; F398-V416 HydrophobicContact CD2-CG1 3.91Å; F398-V416 HydrophobicContact CE2-CG1 4.2Å; F398-Q417 PolarHBondContact N-O 3.08Å; F398-I419 PolarHBondContact O-N 3.36Å
399	S	98.9	Very high	96.7	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.007	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	173	168.3	78.7	0	0	0	0	110.7	K378 E380 V401	K378-S399 PolarHBondContact N-O 3.19Å; K378-S399 PolarHBondContact O-N 2.85Å; E380-S399 WeakPolarHBondContact OE1-CB 3.42Å; E380-S399 PolarHBondContact OE1-OG 3.25Å; S399-V401 PolarHBondContact O-N 2.66Å
400	E	98.6	Very high	98	Very high	88 Å²	88	34.4 Å²	34.4	41%	0.411	17%	0.171	S	C	.	.	S	Bend	trans	54.4	34.6	-175.9	-55.4	-55.6	135.4	0	0	112.2	Y327 K421	Y327-E400 WeakPolarHBondContact CE1-OE1 3.42Å; Y327-E400 VanDerWaalsContact CZ-OE1 3.24Å; Y327-E400 VanDerWaalsContact OH-CD 3.28Å; Y327-E400 PolarHBondContact OH-N 2.84Å; Y327-E400 PolarHBondContact OH-OE1 2.83Å; E400-K421 IonicContact OE1-NZ 2.85Å; E400-K421 PolarHBondContact OE1-NZ 2.97Å; E400-K421 IonicContact OE2-NZ 3.96Å; E400-K421 PolarHBondContact OE2-NZ 2.79Å
401	V	98.9	Very high	98.5	Very high	5 Å²	5	35.2 Å²	35.2	3%	0.03	17%	0.171	C	C	.	.			trans	-75.4	136.5	177.2	178	0	0	0	0	109.7	A377 F398 S399 M405 I407 A408 P418 I419 L420	A377-V401 HydrophobicContact CB-CG2 4.07Å; F398-V401 HydrophobicContact CB-CG2 3.75Å; S399-V401 PolarHBondContact O-N 2.66Å; V401-M405 HydrophobicContact CB-SD 4.29Å; V401-M405 HydrophobicContact CG1-SD 3.91Å; V401-I407 HydrophobicContact CG1-CD1 4.31Å; V401-I407 HydrophobicContact CG1-CG1 4.28Å; V401-I407 HydrophobicContact CG2-CD1 3.87Å; V401-A408 HydrophobicContact CG1-CB 3.82Å; V401-P418 HydrophobicContact CB-CB 4.25Å; V401-P418 HydrophobicContact CG1-CB 4.02Å; V401-P418 HydrophobicContact CG2-CB 3.79Å; V401-I419 PolarHBondContact N-O 2.91Å; V401-L420 HydrophobicContact CB-CD1 4.37Å; V401-L420 HydrophobicContact CB-CG 3.97Å; V401-L420 HydrophobicContact CG1-CD1 4.27Å; V401-L420 HydrophobicContact CG1-CD2 4.27Å; V401-L420 HydrophobicContact CG1-CG 4.04Å; V401-L420 WeakPolarHBondContact O-CG 2.9Å
402	T	98.8	Very high	98.5	Very high	63 Å²	63	35.3 Å²	35.3	39%	0.387	17%	0.172	S	C	.	.			trans	-111.5	154.5	175.8	61.6	0	0	0	0	111.5	N404 M405 A408	T402-N404 WeakPolarHBondContact CB-OD1 3.41Å; T402-N404 PolarHBondContact O-N 2.83Å; T402-N404 PolarHBondContact OG1-OD1 3.15Å; T402-M405 HydrophobicContact CG2-CE 4.37Å; T402-M405 PolarHBondContact N-SD 2.62Å; T402-M405 WeakPolarHBondContact O-CB 3.1Å; T402-M405 PolarHBondContact O-N 3.14Å; T402-M405 VanDerWaalsContact O-N 3.08Å; T402-M405 WeakPolarHBondContact OG1-CG 3.36Å; T402-A408 VanDerWaalsContact O-CB 3.3Å; T402-A408 WeakPolarHBondContact O-CB 3.44Å
403	D	98.5	Very high	98.5	Very high	62 Å²	62	35.7 Å²	35.7	33%	0.332	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-24.9	-171.1	-59.6	-8.9	0	0	0	113.8	K409 L420 R431	D403-K409 WeakPolarHBondContact O-CG 2.92Å; D403-L420 VanDerWaalsContact OD1-CD2 3.24Å; D403-L420 WeakPolarHBondContact OD1-CD2 3.5Å; D403-R431 IonicContact OD1-CZ 2.76Å; D403-R431 IonicContact OD1-NE 3.74Å; D403-R431 PolarHBondContact OD1-NE 3.34Å; D403-R431 IonicContact OD1-NH2 2.95Å; D403-R431 PolarHBondContact OD1-NH2 2.98Å; D403-R431 WeakPolarHBondContact OD2-CG 3.39Å; D403-R431 IonicContact OD2-CZ 2.96Å; D403-R431 IonicContact OD2-NE 2.75Å; D403-R431 PolarHBondContact OD2-NE 3.17Å; D403-R431 IonicContact OD2-NH2 2.92Å
404	N	97.9	Very high	98.5	Very high	114 Å²	114	35.9 Å²	35.9	61%	0.61	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-6.7	-178.4	66.4	-40.6	0	0	0	114.3	T402 K409	T402-N404 WeakPolarHBondContact CB-OD1 3.41Å; T402-N404 PolarHBondContact O-N 2.83Å; T402-N404 PolarHBondContact OG1-OD1 3.15Å; N404-K409 WeakPolarHBondContact O-CE 3.29Å; N404-K409 PolarHBondContact O-NZ 3.34Å
405	M	98.8	Very high	98.5	Very high	11 Å²	11	32.2 Å²	32.2	5%	0.054	16%	0.159	C	C	.	.	S	Bend	trans	-70.1	148.6	176.8	-66.6	176.6	178.7	0	0	111.4	E375 A377 V401 T402 I407 A408 K409	E375-M405 HydrophobicContact CB-CG 4.18Å; E375-M405 WeakPolarHBondContact O-CE 3.4Å; E375-M405 WeakPolarHBondContact OE2-CA 3.35Å; E375-M405 WeakPolarHBondContact OE2-CB 3.2Å; A377-M405 HydrophobicContact CB-CE 4.15Å; A377-M405 HydrophobicContact CB-SD 3.78Å; V401-M405 HydrophobicContact CB-SD 4.29Å; V401-M405 HydrophobicContact CG1-SD 3.91Å; T402-M405 HydrophobicContact CG2-CE 4.37Å; T402-M405 PolarHBondContact N-SD 2.62Å; T402-M405 WeakPolarHBondContact O-CB 3.1Å; T402-M405 PolarHBondContact O-N 3.14Å; T402-M405 VanDerWaalsContact O-N 3.08Å; T402-M405 WeakPolarHBondContact OG1-CG 3.36Å; M405-I407 VanDerWaalsContact C-N 3.34Å; M405-I407 HydrophobicContact CB-CG1 4.07Å; M405-I407 PolarHBondContact O-N 2.99Å; M405-A408 HydrophobicContact CB-CB 4.33Å; M405-A408 WeakPolarHBondContact O-CA 3.47Å; M405-A408 WeakPolarHBondContact O-CB 3.38Å; M405-A408 PolarHBondContact O-N 2.9Å; M405-K409 WeakPolarHBondContact O-CE 3.3Å; M405-K409 WeakPolarHBondContact O-CG 3.48Å; M405-K409 PolarHBondContact O-N 2.81Å; M405-K409 VanDerWaalsContact O-N 3.16Å
406	R	98.7	Very high	98.5	Very high	62 Å²	62	31.7 Å²	31.7	23%	0.234	16%	0.156	C	C	.	.	H	α-helix	trans	-61.9	-41.4	177.1	-68.7	-179.9	61.3	-145.9	-10.7	111.7	E367 L368 S371 E375 A408 K409 E410	E367-R406 IonicContact OE1-CZ 2.83Å; E367-R406 IonicContact OE1-NH1 2.7Å; E367-R406 PolarHBondContact OE1-NH1 2.83Å; E367-R406 IonicContact OE1-NH2 2.96Å; E367-R406 PolarHBondContact OE1-NH2 3.21Å; E367-R406 IonicContact OE2-CZ 3.77Å; E367-R406 IonicContact OE2-NH1 2.78Å; E367-R406 IonicContact OE2-NH2 2.83Å; E367-R406 PolarHBondContact OE2-NH2 3.02Å; L368-R406 HydrophobicContact CD2-CB 4.19Å; S371-R406 WeakPolarHBondContact OG-CB 3.48Å; S371-R406 WeakPolarHBondContact OG-CD 3.22Å; E375-R406 VanDerWaalsContact OE1-CD 3.24Å; E375-R406 WeakPolarHBondContact OE1-CD 3.22Å; E375-R406 WeakPolarHBondContact OE1-CG 3.43Å; E375-R406 PolarHBondContact OE2-N 3.2Å; R406-A408 PolarHBondContact O-N 3.4Å; R406-A408 VanDerWaalsContact O-N 3.07Å; R406-K409 PolarHBondContact O-N 2.79Å; R406-E410 VanDerWaalsContact CG-OE1 3.3Å; R406-E410 WeakPolarHBondContact CG-OE1 3.41Å; R406-E410 IonicContact CZ-OE1 3.34Å; R406-E410 IonicContact CZ-OE2 3.97Å; R406-E410 IonicContact NE-OE1 2.65Å; R406-E410 PolarHBondContact NE-OE1 3.07Å; R406-E410 IonicContact NE-OE2 3.18Å; R406-E410 IonicContact NH2-OE1 3.14Å; R406-E410 IonicContact NH2-OE2 2.66Å; R406-E410 PolarHBondContact NH2-OE2 2.93Å; R406-E410 WeakPolarHBondContact O-CB 3.3Å; R406-E410 PolarHBondContact O-N 2.83Å
407	I	98.6	Very high	98.5	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-62.3	-15.7	174.3	60.6	167.1	0	0	0	113.7	K284 L368 A377 F398 V401 M405 I412 P418	K284-I407 WeakPolarHBondContact CE-O 3.11Å; K284-I407 PolarHBondContact NZ-O 2.56Å; L368-I407 WeakPolarHBondContact O-CG2 3.33Å; A377-I407 HydrophobicContact CB-CD1 3.84Å; F398-I407 HydrophobicContact CB-CD1 4Å; F398-I407 HydrophobicContact CD1-CD1 4.4Å; F398-I407 HydrophobicContact CD2-CD1 3.97Å; F398-I407 HydrophobicContact CG-CD1 3.88Å; V401-I407 HydrophobicContact CG1-CD1 4.31Å; V401-I407 HydrophobicContact CG1-CG1 4.28Å; V401-I407 HydrophobicContact CG2-CD1 3.87Å; M405-I407 VanDerWaalsContact C-N 3.34Å; M405-I407 HydrophobicContact CB-CG1 4.07Å; M405-I407 PolarHBondContact O-N 2.99Å; I407-I412 HydrophobicContact CB-CD1 4.17Å; I407-I412 HydrophobicContact CG2-CD1 4.31Å; I407-P418 HydrophobicContact CD1-CB 4.44Å
408	A	98.5	Very high	98.5	Very high	4 Å²	4	31.7 Å²	31.7	3%	0.033	16%	0.156	C	C	.	.	H	α-helix	trans	-96.3	-15.9	173.3	0	0	0	0	0	113.7	K284 R319 V401 T402 M405 R406	K284-A408 VanDerWaalsContact CE-C 3.44Å; K284-A408 WeakPolarHBondContact CE-O 3.24Å; K284-A408 WeakPolarHBondContact CG-O 3.25Å; R319-A408 WeakPolarHBondContact CD-O 3.43Å; V401-A408 HydrophobicContact CG1-CB 3.82Å; T402-A408 VanDerWaalsContact O-CB 3.3Å; T402-A408 WeakPolarHBondContact O-CB 3.44Å; M405-A408 HydrophobicContact CB-CB 4.33Å; M405-A408 WeakPolarHBondContact O-CA 3.47Å; M405-A408 WeakPolarHBondContact O-CB 3.38Å; M405-A408 PolarHBondContact O-N 2.9Å; R406-A408 PolarHBondContact O-N 3.4Å; R406-A408 VanDerWaalsContact O-N 3.07Å
409	K	98.2	Very high	98.5	Very high	110 Å²	110	31.7 Å²	31.7	48%	0.478	16%	0.156	S	C	.	.	H	α-helix	trans	-110.9	-37.2	-176.7	-65.8	179.7	-57.8	-168.2	0	114	D403 N404 M405 R406	D403-K409 WeakPolarHBondContact O-CG 2.92Å; N404-K409 WeakPolarHBondContact O-CE 3.29Å; N404-K409 PolarHBondContact O-NZ 3.34Å; M405-K409 WeakPolarHBondContact O-CE 3.3Å; M405-K409 WeakPolarHBondContact O-CG 3.48Å; M405-K409 PolarHBondContact O-N 2.81Å; M405-K409 VanDerWaalsContact O-N 3.16Å; R406-K409 PolarHBondContact O-N 2.79Å
410	E	98.2	Very high	98.5	Very high	70 Å²	70	31.6 Å²	31.6	33%	0.327	16%	0.156	S	C	.	.	S	Bend	trans	-91.2	144.3	-175.5	-67.2	174.1	-135.8	0	0	111	K284 L368 R406 I412	K284-E410 WeakPolarHBondContact CD-O 3.37Å; K284-E410 PolarHBondContact NZ-O 2.66Å; L368-E410 HydrophobicContact CD2-CB 4.24Å; R406-E410 VanDerWaalsContact CG-OE1 3.3Å; R406-E410 WeakPolarHBondContact CG-OE1 3.41Å; R406-E410 IonicContact CZ-OE1 3.34Å; R406-E410 IonicContact CZ-OE2 3.97Å; R406-E410 IonicContact NE-OE1 2.65Å; R406-E410 PolarHBondContact NE-OE1 3.07Å; R406-E410 IonicContact NE-OE2 3.18Å; R406-E410 IonicContact NH2-OE1 3.14Å; R406-E410 IonicContact NH2-OE2 2.66Å; R406-E410 PolarHBondContact NH2-OE2 2.93Å; R406-E410 WeakPolarHBondContact O-CB 3.3Å; R406-E410 PolarHBondContact O-N 2.83Å; E410-I412 PolarHBondContact O-N 2.97Å
411	E	97.6	Very high	98.5	Very high	33 Å²	33	30.8 Å²	30.8	15%	0.154	15%	0.151	C	C	.	.			trans	-75	110.1	172	-175.8	176.5	-133.8	0	0	109.5	G282 G283 K364 F413	G282-E411 WeakPolarHBondContact CA-OE1 3.23Å; G282-E411 WeakPolarHBondContact CA-OE2 3.3Å; G283-E411 PolarHBondContact N-OE1 3.31Å; K364-E411 WeakPolarHBondContact CE-O 3.41Å; K364-E411 PolarHBondContact NZ-O 3.05Å; E411-F413 HydrophobicContact CG-CB 4.42Å; E411-F413 HydrophobicContact CG-CD2 3.92Å
412	I	98.4	Very high	98.5	Very high	6 Å²	6	30.6 Å²	30.6	3%	0.031	15%	0.149	C	C	.	.			trans	-75.5	-49.1	-176.6	-55.3	170	0	0	0	110.3	Q361 I365 L368 I407 E410 V416	Q361-I412 PolarHBondContact NE2-O 3.4Å; I365-I412 HydrophobicContact CG1-CG2 4.38Å; I365-I412 HydrophobicContact CG2-CG2 4.17Å; L368-I412 HydrophobicContact CB-CG1 4.45Å; L368-I412 HydrophobicContact CB-CG2 4.38Å; L368-I412 HydrophobicContact CD1-CB 4.19Å; L368-I412 HydrophobicContact CD1-CG1 3.99Å; L368-I412 HydrophobicContact CD1-CG2 4.25Å; I407-I412 HydrophobicContact CB-CD1 4.17Å; I407-I412 HydrophobicContact CG2-CD1 4.31Å; E410-I412 PolarHBondContact O-N 2.97Å; I412-V416 HydrophobicContact CD1-CB 3.83Å; I412-V416 HydrophobicContact CD1-CG1 3.82Å; I412-V416 HydrophobicContact CG2-CB 4.19Å; I412-V416 HydrophobicContact CG2-CG2 3.91Å
413	F	98.2	Very high	98.5	Very high	29 Å²	29	33.9 Å²	33.9	13%	0.127	16%	0.158	C	C	.	.			trans	61.4	46.6	-179.4	-135.4	-110.2	0	0	0	112.6	W180 N181 G311 Q312 C313 Q361 I365 E411	W180-F413 AromaticContact CH2-CD1 3.51Å; W180-F413 HydrophobicContact CH2-CD1 3.51Å; W180-F413 AromaticContact CH2-CE1 3.47Å; W180-F413 HydrophobicContact CH2-CE1 3.47Å; W180-F413 VanDerWaalsContact CH2-CE1 3.47Å; W180-F413 AromaticContact CZ2-CD1 3.91Å; W180-F413 HydrophobicContact CZ2-CD1 3.91Å; W180-F413 AromaticContact CZ2-CE1 3.82Å; W180-F413 HydrophobicContact CZ2-CE1 3.82Å; W180-F413 HydrophobicContact CZ3-CD1 4.46Å; W180-F413 HydrophobicContact CZ3-CE1 4.12Å; N181-F413 HydrophobicContact CB-CE1 4.05Å; N181-F413 HydrophobicContact CB-CZ 4.31Å; N181-F413 WeakPolarHBondContact ND2-CZ 2.93Å; G311-F413 CarbonylContact O-C 3.57Å; G311-F413 WeakPolarHBondContact O-CA 3.4Å; Q312-F413 HydrophobicContact CB-CD1 3.85Å; Q312-F413 HydrophobicContact CB-CE1 3.84Å; Q312-F413 HydrophobicContact CG-CD1 4.29Å; C313-F413 VanDerWaalsContact C-CE2 3.4Å; Q361-F413 PolarHBondContact NE2-O 3.49Å; I365-F413 WeakPolarHBondContact CD1-O 3.2Å; E411-F413 HydrophobicContact CG-CB 4.42Å; E411-F413 HydrophobicContact CG-CD2 3.92Å
414	G	98.5	Very high	98.5	Very high	4 Å²	4	33.6 Å²	33.6	4%	0.041	16%	0.161	C	C	.	.	S	Bend	trans	-161.1	178.8	179.9	0	0	0	0	0	110.4	Q310 G311 V416	Q310-G414 CarbonylContact O-C 3.57Å; Q310-G414 WeakPolarHBondContact O-CA 3.48Å; G311-G414 PolarHBondContact O-N 2.84Å; G414-V416 VanDerWaalsContact C-N 3.26Å; G414-V416 PolarHBondContact O-N 3.46Å
415	P	98.5	Very high	98.5	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.139	C	C	.	.	S	Bend	trans	-81	68.8	-168.4	34.5	-37.3	0	0	0	111.6	F307 Q310 I393 T396	F307-P415 HydrophobicContact CD1-CB 3.66Å; F307-P415 HydrophobicContact CE1-CB 4.04Å; F307-P415 WeakPolarHBondContact CE1-O 3.5Å; Q310-P415 VanDerWaalsContact O-CD 3.28Å; Q310-P415 WeakPolarHBondContact O-CD 3.27Å; I393-P415 HydrophobicContact CB-CG 3.95Å; I393-P415 HydrophobicContact CG2-CG 3.88Å; T396-P415 PolarHBondContact N-O 3.47Å
416	V	98.9	Very high	98.5	Very high	3 Å²	3	34.1 Å²	34.1	2%	0.018	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	116.2	-177.2	-172.7	0	0	0	0	110.6	V306 I365 I369 T396 F398 I412 G414 P418	V306-V416 WeakPolarHBondContact CG1-O 3.3Å; I365-V416 HydrophobicContact CG2-CG2 4.16Å; I369-V416 HydrophobicContact CD1-CG2 3.88Å; I369-V416 HydrophobicContact CG1-CG2 3.66Å; T396-V416 HydrophobicContact CG2-CG1 4.3Å; T396-V416 CarbonylContact O-C 3.58Å; T396-V416 WeakPolarHBondContact O-CA 3.31Å; F398-V416 HydrophobicContact CD2-CG1 3.91Å; F398-V416 HydrophobicContact CE2-CG1 4.2Å; I412-V416 HydrophobicContact CD1-CB 3.83Å; I412-V416 HydrophobicContact CD1-CG1 3.82Å; I412-V416 HydrophobicContact CG2-CB 4.19Å; I412-V416 HydrophobicContact CG2-CG2 3.91Å; G414-V416 VanDerWaalsContact C-N 3.26Å; G414-V416 PolarHBondContact O-N 3.46Å; V416-P418 WeakPolarHBondContact O-CD 3.23Å
417	Q	98.9	Very high	98.5	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	101.5	179	-178.3	175.4	57.6	0	0	111	V306 F307 V320 T396 V397 F398 I419	V306-Q417 HydrophobicContact CB-CB 4.33Å; V306-Q417 HydrophobicContact CG1-CB 3.9Å; V306-Q417 HydrophobicContact CG2-CB 4.18Å; V306-Q417 HydrophobicContact CG2-CG 3.98Å; F307-Q417 HydrophobicContact CE2-CB 3.89Å; F307-Q417 HydrophobicContact CZ-CB 3.67Å; V320-Q417 HydrophobicContact CG2-CG 4.12Å; T396-Q417 PolarHBondContact O-N 2.86Å; V397-Q417 WeakPolarHBondContact CA-O 3.44Å; V397-Q417 HydrophobicContact CG2-CB 4.31Å; F398-Q417 PolarHBondContact N-O 3.08Å; Q417-I419 HydrophobicContact CG-CD1 4.39Å; Q417-I419 HydrophobicContact CG-CG1 3.96Å
418	P	98.8	Very high	98.5	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	125.8	168.4	32.1	-33.3	0	0	0	111.3	S318 V320 V401 I407 V416	S318-P418 WeakPolarHBondContact O-CG 3.46Å; V320-P418 PolarHBondContact N-O 2.93Å; V401-P418 HydrophobicContact CB-CB 4.25Å; V401-P418 HydrophobicContact CG1-CB 4.02Å; V401-P418 HydrophobicContact CG2-CB 3.79Å; I407-P418 HydrophobicContact CD1-CB 4.44Å; V416-P418 WeakPolarHBondContact O-CD 3.23Å
419	I	98.9	Very high	98.5	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	124.5	-179.8	-50.4	175.4	0	0	0	109.3	V320 V322 Y327 F330 V331 V397 F398 V401 Q417	V320-I419 HydrophobicContact CB-CG1 4.46Å; V320-I419 CarbonylContact O-C 3.5Å; V320-I419 WeakPolarHBondContact O-CA 3.37Å; V322-I419 HydrophobicContact CG2-CG2 3.8Å; Y327-I419 HydrophobicContact CD2-CG2 4.42Å; Y327-I419 HydrophobicContact CE2-CG2 3.93Å; F330-I419 HydrophobicContact CD1-CD1 4.2Å; F330-I419 HydrophobicContact CD1-CG2 4.17Å; F330-I419 HydrophobicContact CE1-CD1 4.1Å; F330-I419 HydrophobicContact CE1-CG2 4.34Å; V331-I419 HydrophobicContact CG2-CB 4.41Å; V331-I419 HydrophobicContact CG2-CD1 4.09Å; V331-I419 HydrophobicContact CG2-CG2 3.99Å; V397-I419 HydrophobicContact CG1-CD1 3.74Å; V397-I419 HydrophobicContact CG1-CG1 4.4Å; F398-I419 PolarHBondContact O-N 3.36Å; V401-I419 PolarHBondContact N-O 2.91Å; Q417-I419 HydrophobicContact CG-CD1 4.39Å; Q417-I419 HydrophobicContact CG-CG1 3.96Å
420	L	98.9	Very high	98.6	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	146.9	-177.3	-59.6	90.2	0	0	0	109.6	R319 V320 F321 V322 V401 D403	R319-L420 HydrophobicContact CB-CD1 4.05Å; R319-L420 HydrophobicContact CG-CD1 4.43Å; V320-L420 PolarHBondContact O-N 2.82Å; F321-L420 CarbonylContact C-O 3.54Å; F321-L420 WeakPolarHBondContact CA-O 3.17Å; F321-L420 HydrophobicContact CD1-CB 3.83Å; F321-L420 HydrophobicContact CD1-CD2 4.46Å; F321-L420 HydrophobicContact CE1-CB 4.06Å; F321-L420 HydrophobicContact CE1-CD2 3.82Å; F321-L420 HydrophobicContact CE1-CG 4.39Å; F321-L420 HydrophobicContact CG-CB 4.48Å; F321-L420 HydrophobicContact CZ-CD2 4.19Å; V322-L420 PolarHBondContact N-O 2.87Å; V401-L420 HydrophobicContact CB-CD1 4.37Å; V401-L420 HydrophobicContact CB-CG 3.97Å; V401-L420 HydrophobicContact CG1-CD1 4.27Å; V401-L420 HydrophobicContact CG1-CD2 4.27Å; V401-L420 HydrophobicContact CG1-CG 4.04Å; V401-L420 WeakPolarHBondContact O-CG 2.9Å; D403-L420 VanDerWaalsContact OD1-CD2 3.24Å; D403-L420 WeakPolarHBondContact OD1-CD2 3.5Å
421	K	98.8	Very high	98.6	Very high	71 Å²	71	35.9 Å²	35.9	31%	0.309	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	143.4	176.6	-165.1	175.4	-68.9	135.7	0	110.3	V322 E324 Y327 E400 R431	V322-K421 WeakPolarHBondContact O-CA 3.5Å; E324-K421 HydrophobicContact CB-CD 4.24Å; E324-K421 HydrophobicContact CB-CG 4.06Å; Y327-K421 HydrophobicContact CD1-CD 4.4Å; Y327-K421 HydrophobicContact CD2-CB 3.68Å; Y327-K421 HydrophobicContact CD2-CD 4.47Å; Y327-K421 HydrophobicContact CD2-CG 3.86Å; Y327-K421 HydrophobicContact CE2-CB 3.77Å; Y327-K421 HydrophobicContact CE2-CG 4.38Å; Y327-K421 HydrophobicContact CG-CB 4.28Å; Y327-K421 HydrophobicContact CG-CD 4.24Å; Y327-K421 HydrophobicContact CG-CG 3.99Å; E400-K421 IonicContact OE1-NZ 2.85Å; E400-K421 PolarHBondContact OE1-NZ 2.97Å; E400-K421 IonicContact OE2-NZ 3.96Å; E400-K421 PolarHBondContact OE2-NZ 2.79Å; K421-R431 PolarHBondContact O-NH1 3.43Å; K421-R431 PolarHBondContact O-NH2 3.01Å
422	F	98.8	Very high	98.7	Very high	1 Å²	1	34.4 Å²	34.4	0%	0.004	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	162.6	169.3	78.6	-87.9	0	0	0	111.7	I288 V289 F321 V322 E323 E324 S424 I425 V428	I288-F422 HydrophobicContact CG2-CE1 4Å; I288-F422 HydrophobicContact CG2-CZ 3.96Å; V289-F422 WeakPolarHBondContact O-CE1 3.37Å; F321-F422 HydrophobicContact CB-CD1 3.85Å; F321-F422 HydrophobicContact CB-CE1 4.31Å; V322-F422 WeakPolarHBondContact O-CD1 3.46Å; V322-F422 PolarHBondContact O-N 3.31Å; E323-F422 WeakPolarHBondContact CA-O 3.17Å; E323-F422 HydrophobicContact CB-CE1 3.89Å; E323-F422 HydrophobicContact CB-CE2 4.07Å; E323-F422 HydrophobicContact CB-CZ 3.61Å; E323-F422 HydrophobicContact CG-CD2 4.24Å; E323-F422 HydrophobicContact CG-CE1 4.38Å; E323-F422 HydrophobicContact CG-CE2 3.64Å; E323-F422 HydrophobicContact CG-CZ 3.72Å; E324-F422 PolarHBondContact N-O 2.65Å; F422-S424 WeakPolarHBondContact CD2-O 3.48Å; F422-I425 HydrophobicContact CE2-CD1 4.41Å; F422-V428 HydrophobicContact CB-CB 4.07Å; F422-V428 HydrophobicContact CB-CG2 4.26Å; F422-V428 HydrophobicContact CD1-CB 4.28Å; F422-V428 HydrophobicContact CD1-CG2 3.98Å; F422-V428 HydrophobicContact CD2-CB 3.61Å; F422-V428 HydrophobicContact CD2-CG1 3.86Å; F422-V428 HydrophobicContact CD2-CG2 4.22Å; F422-V428 HydrophobicContact CE1-CG2 4.34Å; F422-V428 HydrophobicContact CE2-CB 4.07Å; F422-V428 HydrophobicContact CE2-CG1 3.81Å; F422-V428 HydrophobicContact CG-CB 3.73Å; F422-V428 HydrophobicContact CG-CG1 4.39Å; F422-V428 HydrophobicContact CG-CG2 3.9Å; F422-V428 HydrophobicContact CZ-CG1 4.3Å
423	K	98.1	Very high	98.7	Very high	132 Å²	132	35.3 Å²	35.3	57%	0.574	17%	0.167	S	C	*	.			trans	-117.6	-32.5	-176.4	-53.8	-164.9	176.4	-163.6	0	115	E324 E427	E324-K423 HydrophobicContact CG-CG 4.5Å; E324-K423 VanDerWaalsContact OE2-CD 3.25Å; E324-K423 WeakPolarHBondContact OE2-CD 3.2Å; E324-K423 WeakPolarHBondContact OE2-CE 3.11Å; E324-K423 WeakPolarHBondContact OE2-CG 3.29Å; E324-K423 IonicContact OE2-NZ 3.04Å; K423-E427 WeakPolarHBondContact CB-OE2 3.45Å; K423-E427 PolarHBondContact N-OE2 2.79Å
424	S	98.4	Very high	98.7	Very high	55 Å²	55	38.4 Å²	38.4	39%	0.385	19%	0.192	S	C	.	.			trans	-133.6	154.9	-179	73.6	0	0	0	0	112.7	F422 E426 E427 V428	F422-S424 WeakPolarHBondContact CD2-O 3.48Å; S424-E426 VanDerWaalsContact C-N 3.33Å; S424-E426 PolarHBondContact O-N 2.99Å; S424-E427 PolarHBondContact N-OE2 3.28Å; S424-E427 WeakPolarHBondContact O-CB 3.26Å; S424-E427 PolarHBondContact O-N 3.4Å; S424-E427 WeakPolarHBondContact OG-CB 3.32Å; S424-E427 PolarHBondContact OG-N 3.16Å; S424-V428 PolarHBondContact O-N 2.79Å
425	I	98.6	Very high	98.7	Very high	28 Å²	28	39.6 Å²	39.6	14%	0.144	20%	0.199	C	C	.	.	H	α-helix	trans	-61.3	-41.2	179.1	-59	-59.8	0	0	0	111.4	F422 V428 I429 K450 K453 L454	F422-I425 HydrophobicContact CE2-CD1 4.41Å; I425-V428 VanDerWaalsContact O-CG1 3.31Å; I425-V428 WeakPolarHBondContact O-CG1 3.4Å; I425-V428 PolarHBondContact O-N 2.99Å; I425-I429 HydrophobicContact CG2-CD1 3.92Å; I425-I429 WeakPolarHBondContact O-CD1 3.14Å; I425-I429 VanDerWaalsContact O-CG1 3.24Å; I425-I429 WeakPolarHBondContact O-CG1 3.35Å; I425-I429 PolarHBondContact O-N 2.87Å; I425-K450 HydrophobicContact CD1-CD 4.13Å; I425-K450 HydrophobicContact CD1-CG 4.35Å; I425-K450 HydrophobicContact CG1-CG 4.5Å; I425-K453 HydrophobicContact CG2-CD 4.46Å; I425-L454 HydrophobicContact CD1-CD1 4.33Å; I425-L454 HydrophobicContact CG2-CD2 3.9Å; I425-L454 HydrophobicContact CG2-CG 4.07Å
426	E	98.6	Very high	98.6	Very high	109 Å²	109	44.8 Å²	44.8	51%	0.509	23%	0.226	S	C	.	.	H	α-helix	trans	-65.2	-40.9	177.7	-63.2	-55	146.8	0	0	112.4	S424 I429 K430 K453	S424-E426 VanDerWaalsContact C-N 3.33Å; S424-E426 PolarHBondContact O-N 2.99Å; E426-I429 PolarHBondContact O-N 3.33Å; E426-K430 PolarHBondContact O-N 3Å; E426-K430 VanDerWaalsContact O-N 3.13Å; E426-K453 WeakPolarHBondContact OE1-CE 3.46Å; E426-K453 IonicContact OE1-NZ 2.72Å; E426-K453 PolarHBondContact OE1-NZ 3.39Å
427	E	98.6	Very high	98.6	Very high	61 Å²	61	47.1 Å²	47.1	29%	0.285	24%	0.235	S	C	.	.	H	α-helix	trans	-61.1	-48.6	176.5	-177.6	-150.3	147.8	0	0	110.9	K423 S424 I429 K430 R431	K423-E427 WeakPolarHBondContact CB-OE2 3.45Å; K423-E427 PolarHBondContact N-OE2 2.79Å; S424-E427 PolarHBondContact N-OE2 3.28Å; S424-E427 WeakPolarHBondContact O-CB 3.26Å; S424-E427 PolarHBondContact O-N 3.4Å; S424-E427 WeakPolarHBondContact OG-CB 3.32Å; S424-E427 PolarHBondContact OG-N 3.16Å; E427-I429 PolarHBondContact O-N 2.84Å; E427-K430 PolarHBondContact O-N 3.26Å; E427-R431 VanDerWaalsContact O-CG 3.3Å; E427-R431 WeakPolarHBondContact O-CG 3.41Å; E427-R431 PolarHBondContact O-N 2.99Å; E427-R431 IonicContact OE1-CZ 2.65Å; E427-R431 IonicContact OE1-NH1 3.16Å; E427-R431 PolarHBondContact OE1-NH1 3.34Å
428	V	98.8	Very high	98.6	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-69.9	-32.7	-177.9	73.4	0	0	0	0	112.2	I288 F321 F422 S424 I425 R431 A432 L454	I288-V428 HydrophobicContact CD1-CG1 4.21Å; I288-V428 HydrophobicContact CD1-CG2 3.85Å; I288-V428 HydrophobicContact CG1-CG2 3.87Å; I288-V428 HydrophobicContact CG2-CG1 4.11Å; I288-V428 HydrophobicContact CG2-CG2 4.05Å; F321-V428 HydrophobicContact CB-CG2 3.67Å; F321-V428 HydrophobicContact CD1-CG2 4.03Å; F321-V428 HydrophobicContact CD2-CG2 4.42Å; F321-V428 HydrophobicContact CG-CG2 3.8Å; F422-V428 HydrophobicContact CB-CB 4.07Å; F422-V428 HydrophobicContact CB-CG2 4.26Å; F422-V428 HydrophobicContact CD1-CB 4.28Å; F422-V428 HydrophobicContact CD1-CG2 3.98Å; F422-V428 HydrophobicContact CD2-CB 3.61Å; F422-V428 HydrophobicContact CD2-CG1 3.86Å; F422-V428 HydrophobicContact CD2-CG2 4.22Å; F422-V428 HydrophobicContact CE1-CG2 4.34Å; F422-V428 HydrophobicContact CE2-CB 4.07Å; F422-V428 HydrophobicContact CE2-CG1 3.81Å; F422-V428 HydrophobicContact CG-CB 3.73Å; F422-V428 HydrophobicContact CG-CG1 4.39Å; F422-V428 HydrophobicContact CG-CG2 3.9Å; F422-V428 HydrophobicContact CZ-CG1 4.3Å; S424-V428 PolarHBondContact O-N 2.79Å; I425-V428 VanDerWaalsContact O-CG1 3.31Å; I425-V428 WeakPolarHBondContact O-CG1 3.4Å; I425-V428 PolarHBondContact O-N 2.99Å; V428-R431 PolarHBondContact O-N 2.97Å; V428-A432 WeakPolarHBondContact O-CB 3.36Å; V428-A432 PolarHBondContact O-N 2.84Å; V428-L454 HydrophobicContact CG1-CD2 4.18Å
429	I	98.9	Very high	98.6	Very high	19 Å²	19	47.2 Å²	47.2	10%	0.097	24%	0.237	C	C	.	.	H	α-helix	trans	-57.8	-51.9	171	-72.9	165.6	0	0	0	109.9	I425 E426 E427 R431 A432 N433 L454 A457	I425-I429 HydrophobicContact CG2-CD1 3.92Å; I425-I429 WeakPolarHBondContact O-CD1 3.14Å; I425-I429 VanDerWaalsContact O-CG1 3.24Å; I425-I429 WeakPolarHBondContact O-CG1 3.35Å; I425-I429 PolarHBondContact O-N 2.87Å; E426-I429 PolarHBondContact O-N 3.33Å; E427-I429 PolarHBondContact O-N 2.84Å; I429-R431 VanDerWaalsContact C-N 3.34Å; I429-R431 PolarHBondContact O-N 3.23Å; I429-A432 PolarHBondContact O-N 3.16Å; I429-N433 WeakPolarHBondContact O-CB 3.48Å; I429-N433 PolarHBondContact O-N 3.48Å; I429-L454 HydrophobicContact CD1-CD2 4.06Å; I429-L454 HydrophobicContact CG1-CD2 3.57Å; I429-A457 HydrophobicContact CD1-CB 3.78Å; I429-A457 HydrophobicContact CG1-CB 4.13Å; I429-A457 HydrophobicContact CG2-CB 3.87Å
430	K	98.8	Very high	98.6	Very high	166 Å²	166	47.2 Å²	47.2	72%	0.722	24%	0.237	S	C	*	.	H	α-helix	trans	-59.2	-45.3	-179.4	-175	178.8	179	-178.4	0	111.6	E426 E427 S434	E426-K430 PolarHBondContact O-N 3Å; E426-K430 VanDerWaalsContact O-N 3.13Å; E427-K430 PolarHBondContact O-N 3.26Å; K430-S434 VanDerWaalsContact O-CB 3.31Å; K430-S434 WeakPolarHBondContact O-CB 3.33Å; K430-S434 PolarHBondContact O-N 3.2Å
431	R	98.8	Very high	98.6	Very high	37 Å²	37	47.2 Å²	47.2	14%	0.14	24%	0.237	C	C	.	.	H	α-helix	trans	-71.4	-39.6	-178.7	-67	170.8	63.1	-157.3	-6.7	112.4	R319 F321 D403 K421 E427 V428 I429 N433 S434	R319-R431 PolarHBondContact NH1-O 2.89Å; F321-R431 HydrophobicContact CE1-CB 4.05Å; F321-R431 HydrophobicContact CZ-CB 4.35Å; D403-R431 IonicContact OD1-CZ 2.76Å; D403-R431 IonicContact OD1-NE 3.74Å; D403-R431 PolarHBondContact OD1-NE 3.34Å; D403-R431 IonicContact OD1-NH2 2.95Å; D403-R431 PolarHBondContact OD1-NH2 2.98Å; D403-R431 WeakPolarHBondContact OD2-CG 3.39Å; D403-R431 IonicContact OD2-CZ 2.96Å; D403-R431 IonicContact OD2-NE 2.75Å; D403-R431 PolarHBondContact OD2-NE 3.17Å; D403-R431 IonicContact OD2-NH2 2.92Å; K421-R431 PolarHBondContact O-NH1 3.43Å; K421-R431 PolarHBondContact O-NH2 3.01Å; E427-R431 VanDerWaalsContact O-CG 3.3Å; E427-R431 WeakPolarHBondContact O-CG 3.41Å; E427-R431 PolarHBondContact O-N 2.99Å; E427-R431 IonicContact OE1-CZ 2.65Å; E427-R431 IonicContact OE1-NH1 3.16Å; E427-R431 PolarHBondContact OE1-NH1 3.34Å; V428-R431 PolarHBondContact O-N 2.97Å; I429-R431 VanDerWaalsContact C-N 3.34Å; I429-R431 PolarHBondContact O-N 3.23Å; R431-N433 VanDerWaalsContact C-N 3.32Å; R431-N433 PolarHBondContact O-N 3.36Å; R431-S434 PolarHBondContact O-N 2.88Å
432	A	98.8	Very high	98.6	Very high	2 Å²	2	43.9 Å²	43.9	2%	0.017	22%	0.222	C	C	.	.	H	α-helix	trans	-60.8	-42.4	175.1	0	0	0	0	0	111.2	P286 I288 R319 V428 I429 L458	P286-A432 HydrophobicContact CB-CB 3.84Å; P286-A432 HydrophobicContact CG-CB 3.89Å; I288-A432 HydrophobicContact CD1-CB 4.14Å; R319-A432 PolarHBondContact NH1-O 3Å; R319-A432 PolarHBondContact NH2-O 3.09Å; V428-A432 WeakPolarHBondContact O-CB 3.36Å; V428-A432 PolarHBondContact O-N 2.84Å; I429-A432 PolarHBondContact O-N 3.16Å; A432-L458 HydrophobicContact CB-CD2 3.54Å
433	N	98.8	Very high	98.6	Very high	25 Å²	25	43.8 Å²	43.8	13%	0.134	22%	0.222	C	C	.	.	H	α-helix	trans	-81.3	-11.6	178.7	-68.2	-14.8	0	0	0	114.1	I429 R431 T435 A457 E459 K481	I429-N433 WeakPolarHBondContact O-CB 3.48Å; I429-N433 PolarHBondContact O-N 3.48Å; R431-N433 VanDerWaalsContact C-N 3.32Å; R431-N433 PolarHBondContact O-N 3.36Å; N433-T435 PolarHBondContact O-N 3.49Å; N433-A457 PolarHBondContact ND2-O 2.8Å; N433-E459 HydrophobicContact CB-CG 4.49Å; N433-E459 PolarHBondContact OD1-N 3.15Å; N433-K481 PolarHBondContact O-NZ 2.92Å
434	S	98.4	Very high	98.6	Very high	93 Å²	93	37.6 Å²	37.6	65%	0.65	19%	0.194	S	C	*	.			trans	-75.3	60.1	178.9	-176.7	0	0	0	0	112.5	K430 R431	K430-S434 VanDerWaalsContact O-CB 3.31Å; K430-S434 WeakPolarHBondContact O-CB 3.33Å; K430-S434 PolarHBondContact O-N 3.2Å; R431-S434 PolarHBondContact O-N 2.88Å
435	T	98.1	Very high	98.7	Very high	30 Å²	30	35 Å²	35	18%	0.184	18%	0.177	C	C	.	.	S	Bend	trans	-154.5	156.3	175.9	178.3	0	0	0	0	109.1	N433 Y437 K481	N433-T435 PolarHBondContact O-N 3.49Å; T435-Y437 VanDerWaalsContact CG2-O 3.24Å; T435-Y437 WeakPolarHBondContact CG2-O 3.26Å; T435-Y437 PolarHBondContact O-N 3.29Å; T435-Y437 PolarHBondContact OG1-N 3.03Å; T435-K481 PolarHBondContact O-NZ 3.18Å
436	D	97.9	Very high	98.7	Very high	109 Å²	109	40.8 Å²	40.8	58%	0.583	20%	0.201	S	C	*	.	S	Bend	trans	-76.4	-9.3	172.2	-61.2	-40.1	0	0	0	112.5	K481 M482	D436-K481 WeakPolarHBondContact O-CB 3.21Å; D436-M482 HydrophobicContact CB-CB 4.47Å; D436-M482 HydrophobicContact CB-CG 4.27Å; D436-M482 HydrophobicContact CB-SD 3.83Å; D436-M482 WeakPolarHBondContact O-CB 3.33Å; D436-M482 PolarHBondContact O-N 2.97Å
437	Y	98.5	Very high	98.7	Very high	51 Å²	51	38.5 Å²	38.5	20%	0.2	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	156.5	179.6	-63	-61.1	0	0	0	112.4	T259 G282 K284 T435 S483	T259-Y437 HydrophobicContact CG2-CE1 4.05Å; T259-Y437 VanDerWaalsContact OG1-CE1 3.31Å; T259-Y437 WeakPolarHBondContact OG1-CE1 3.23Å; G282-Y437 VanDerWaalsContact O-CD1 3.32Å; G282-Y437 WeakPolarHBondContact O-CD1 3.34Å; K284-Y437 HydrophobicContact CB-CD2 3.94Å; T435-Y437 VanDerWaalsContact CG2-O 3.24Å; T435-Y437 WeakPolarHBondContact CG2-O 3.26Å; T435-Y437 PolarHBondContact O-N 3.29Å; T435-Y437 PolarHBondContact OG1-N 3.03Å; Y437-S483 WeakPolarHBondContact CA-OG 3.34Å; Y437-S483 WeakPolarHBondContact CB-OG 3.46Å
438	G	98.4	Very high	98.7	Very high	3 Å²	3	41.4 Å²	41.4	3%	0.031	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.6	47	-179.4	0	0	0	0	0	112	E459 S460 G461 F480 S483	G438-E459 WeakPolarHBondContact CA-O 3.35Å; G438-S460 WeakPolarHBondContact O-CA 3.32Å; G438-G461 PolarHBondContact O-N 3.44Å; G438-F480 WeakPolarHBondContact O-CB 3.36Å; G438-F480 PolarHBondContact O-N 3Å; G438-S483 PolarHBondContact N-OG 3.12Å
439	L	98.6	Very high	98.7	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.239	C	C	.	.	S	Bend	trans	-77.5	-66.6	-178.3	-168.9	62.2	0	0	0	111	N285 C314 G461 T462 F477 S483	N285-L439 WeakPolarHBondContact OD1-CB 3.43Å; C314-L439 HydrophobicContact CB-CD2 3.55Å; C314-L439 WeakPolarHBondContact O-CD2 3.41Å; L439-G461 WeakPolarHBondContact O-CA 3.49Å; L439-G461 PolarHBondContact O-N 3.44Å; L439-T462 PolarHBondContact O-N 2.86Å; L439-F477 HydrophobicContact CD1-CE1 3.92Å; L439-F477 HydrophobicContact CD1-CZ 3.85Å; L439-F477 HydrophobicContact CD2-CE1 4.35Å; L439-F477 HydrophobicContact CD2-CZ 3.87Å; L439-F477 HydrophobicContact CG-CE1 4.33Å; L439-F477 HydrophobicContact CG-CZ 3.79Å; L439-S483 PolarHBondContact N-OG 3.44Å
440	T	98.9	Very high	98.7	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	159.3	178.9	63.8	0	0	0	0	111.8	N285 P286 T315 T462 W464 F477	N285-T440 WeakPolarHBondContact CA-O 3.42Å; N285-T440 WeakPolarHBondContact CB-O 3.47Å; N285-T440 WeakPolarHBondContact CB-OG1 3.46Å; N285-T440 PolarHBondContact ND2-OG1 3.32Å; N285-T440 PolarHBondContact OD1-N 3.11Å; N285-T440 VanDerWaalsContact OD1-N 3.08Å; N285-T440 PolarHBondContact OD1-O 3.36Å; P286-T440 WeakPolarHBondContact CD-O 3.43Å; T315-T440 HydrophobicContact CG2-CG2 3.77Å; T315-T440 PolarHBondContact O-OG1 3.04Å; T440-T462 CarbonylContact C-O 3.48Å; T440-T462 VanDerWaalsContact CA-O 3.26Å; T440-T462 WeakPolarHBondContact CA-O 2.96Å; T440-W464 HydrophobicContact CG2-CH2 3.74Å; T440-W464 HydrophobicContact CG2-CZ2 4.35Å; T440-W464 HydrophobicContact CG2-CZ3 4.04Å; T440-F477 HydrophobicContact CG2-CE2 3.58Å; T440-F477 HydrophobicContact CG2-CZ 4.13Å
441	A	98.9	Very high	98.7	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	161.8	165.7	0	0	0	0	0	110.3	P286 L458 T462 V463 W464	P286-A441 HydrophobicContact CG-CB 3.83Å; P286-A441 CarbonylContact O-C 3.4Å; P286-A441 VanDerWaalsContact O-CA 3.24Å; P286-A441 WeakPolarHBondContact O-CA 3.32Å; A441-L458 HydrophobicContact CB-CD1 3.94Å; A441-T462 PolarHBondContact N-O 3.15Å; A441-V463 HydrophobicContact CB-CG1 4.45Å; A441-V463 HydrophobicContact CB-CG2 4.39Å; A441-V463 WeakPolarHBondContact O-CA 3.47Å; A441-W464 PolarHBondContact O-N 3.06Å
442	A	98.9	Very high	98.7	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	153.3	168.1	0	0	0	0	0	112.6	P286 I288 F444 W464 Y468	P286-A442 PolarHBondContact O-N 2.95Å; I288-A442 PolarHBondContact N-O 2.97Å; A442-F444 HydrophobicContact CB-CE2 3.92Å; A442-W464 CarbonylContact C-O 3.57Å; A442-W464 VanDerWaalsContact CA-O 3.24Å; A442-W464 WeakPolarHBondContact CA-O 3.5Å; A442-W464 HydrophobicContact CB-CB 4.24Å; A442-Y468 HydrophobicContact CB-CD2 3.28Å; A442-Y468 HydrophobicContact CB-CE2 3.29Å; A442-Y468 HydrophobicContact CB-CG 4.49Å
443	V	98.9	Very high	98.7	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	125.8	178.8	178.4	0	0	0	0	109.1	I288 T445 L454 L458 V463 W464 I465 N466	I288-V443 CarbonylContact O-C 3.58Å; I288-V443 WeakPolarHBondContact O-CA 3.39Å; V443-T445 HydrophobicContact CG1-CG2 3.95Å; V443-L454 HydrophobicContact CB-CD1 4.48Å; V443-L454 HydrophobicContact CG1-CB 4.15Å; V443-L454 HydrophobicContact CG1-CD1 3.47Å; V443-L454 VanDerWaalsContact CG1-CD1 3.47Å; V443-L454 HydrophobicContact CG1-CG 4.45Å; V443-L454 HydrophobicContact CG2-CB 3.7Å; V443-L454 HydrophobicContact CG2-CD1 4.16Å; V443-L454 HydrophobicContact CG2-CG 4.5Å; V443-L458 HydrophobicContact CG2-CD1 3.75Å; V443-V463 HydrophobicContact CG2-CG1 4.29Å; V443-W464 PolarHBondContact N-O 3.47Å; V443-I465 CarbonylContact O-C 3.33Å; V443-I465 VanDerWaalsContact O-CA 3.31Å; V443-I465 WeakPolarHBondContact O-CA 3.37Å; V443-N466 PolarHBondContact O-N 3.49Å
444	F	98.9	Very high	98.7	Very high	1 Å²	1	47.2 Å²	47.2	0%	0.004	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	116	173.7	-65.3	-95.2	0	0	0	109.4	I288 V289 C290 A293 A298 C301 A442 N466	I288-F444 PolarHBondContact O-N 3.37Å; V289-F444 HydrophobicContact CG1-CB 4.45Å; V289-F444 HydrophobicContact CG2-CB 4.43Å; V289-F444 HydrophobicContact CG2-CD2 4.15Å; C290-F444 WeakPolarHBondContact CB-O 3.39Å; C290-F444 PolarHBondContact N-O 2.83Å; A293-F444 HydrophobicContact CB-CB 3.91Å; A298-F444 HydrophobicContact CB-CB 3.93Å; A298-F444 HydrophobicContact CB-CD1 3.85Å; A298-F444 HydrophobicContact CB-CG 3.84Å; C301-F444 HydrophobicContact CB-CE1 3.63Å; C301-F444 HydrophobicContact CB-CZ 3.47Å; C301-F444 VanDerWaalsContact CB-CZ 3.47Å; A442-F444 HydrophobicContact CB-CE2 3.92Å; F444-N466 WeakPolarHBondContact CA-OD1 3.39Å
445	T	98.9	Very high	98.7	Very high	2 Å²	2	44.2 Å²	44.2	1%	0.012	23%	0.225	C	C	.	.			trans	-166.1	147.8	179.6	-178.4	0	0	0	0	109.9	D292 V443 N447 K450 A451 N466	D292-T445 VanDerWaalsContact CG-OG1 3.27Å; D292-T445 WeakPolarHBondContact OD1-CA 2.94Å; D292-T445 WeakPolarHBondContact OD1-CB 3.35Å; D292-T445 PolarHBondContact OD1-OG1 3.3Å; D292-T445 PolarHBondContact OD2-OG1 2.97Å; V443-T445 HydrophobicContact CG1-CG2 3.95Å; T445-N447 WeakPolarHBondContact CG2-O 3.3Å; T445-N447 PolarHBondContact OG1-N 3.27Å; T445-K450 HydrophobicContact CG2-CB 4.11Å; T445-A451 HydrophobicContact CG2-CB 3.75Å; T445-N466 PolarHBondContact N-OD1 2.94Å; T445-N466 PolarHBondContact O-ND2 3.13Å; T445-N466 PolarHBondContact O-OD1 3.31Å
446	K	98.8	Very high	98.7	Very high	148 Å²	148	47.8 Å²	47.8	64%	0.643	25%	0.251	S	S	*	.	S	Bend	trans	-88	-8.1	169	-67.6	174.2	-175.9	174.6	0	112.6	D292	D292-K446 WeakPolarHBondContact O-CB 3.36Å; D292-K446 WeakPolarHBondContact O-CD 3.46Å; D292-K446 VanDerWaalsContact O-CG 3.24Å; D292-K446 WeakPolarHBondContact O-CG 3.4Å; D292-K446 PolarHBondContact O-N 3.1Å
447	N	98.8	Very high	98.7	Very high	62 Å²	62	44.2 Å²	44.2	33%	0.332	24%	0.237	S	C	.	.			trans	-90.4	124.3	-176.2	-178.3	-76.1	0	0	0	111.3	D292 T445 D449 K450 A451	D292-N447 WeakPolarHBondContact OD2-CB 3.37Å; T445-N447 WeakPolarHBondContact CG2-O 3.3Å; T445-N447 PolarHBondContact OG1-N 3.27Å; N447-D449 WeakPolarHBondContact OD1-CB 3.44Å; N447-D449 PolarHBondContact OD1-N 3.06Å; N447-K450 HydrophobicContact CB-CB 4.13Å; N447-K450 HydrophobicContact CB-CD 4.06Å; N447-K450 HydrophobicContact CB-CG 4.13Å; N447-K450 PolarHBondContact OD1-N 3.34Å; N447-A451 WeakPolarHBondContact O-CB 3.14Å; N447-A451 PolarHBondContact O-N 2.94Å
448	L	98.7	Very high	98.8	Very high	121 Å²	121	42.3 Å²	42.3	63%	0.634	23%	0.23	S	C	*	.	H	α-helix	trans	-62.8	-45.6	-178	-179.3	61.8	0	0	0	112.7	K450 A451 L452	L448-K450 PolarHBondContact O-N 3.48Å; L448-A451 WeakPolarHBondContact O-CB 3.18Å; L448-A451 PolarHBondContact O-N 3.39Å; L448-L452 HydrophobicContact CD1-CD1 3.89Å; L448-L452 HydrophobicContact CD1-CG 4.07Å; L448-L452 HydrophobicContact CG-CD1 4.07Å; L448-L452 WeakPolarHBondContact O-CG 3.38Å; L448-L452 PolarHBondContact O-N 3.29Å
449	D	98.7	Very high	98.8	Very high	120 Å²	120	46.1 Å²	46.1	64%	0.642	25%	0.247	S	C	*	.	H	α-helix	trans	-65.4	-43	-176.7	-63.8	-10.7	0	0	0	111.2	N447 K453	N447-D449 WeakPolarHBondContact OD1-CB 3.44Å; N447-D449 PolarHBondContact OD1-N 3.06Å; D449-K453 WeakPolarHBondContact O-CB 3.35Å; D449-K453 PolarHBondContact O-N 3.31Å
450	K	98.8	Very high	98.8	Very high	48 Å²	48	46.7 Å²	46.7	21%	0.209	25%	0.251	C	S	.	.	H	α-helix	trans	-60.4	-46.7	173.7	-72.4	-175.8	-176.2	172.4	0	111	C290 D292 I425 T445 N447 L448 K453 L454	C290-K450 HydrophobicContact CB-CD 4.45Å; D292-K450 IonicContact OD1-NZ 3.64Å; D292-K450 IonicContact OD2-NZ 3.75Å; D292-K450 PolarHBondContact OD2-NZ 3.42Å; I425-K450 HydrophobicContact CD1-CD 4.13Å; I425-K450 HydrophobicContact CD1-CG 4.35Å; I425-K450 HydrophobicContact CG1-CG 4.5Å; T445-K450 HydrophobicContact CG2-CB 4.11Å; N447-K450 HydrophobicContact CB-CB 4.13Å; N447-K450 HydrophobicContact CB-CD 4.06Å; N447-K450 HydrophobicContact CB-CG 4.13Å; N447-K450 PolarHBondContact OD1-N 3.34Å; L448-K450 PolarHBondContact O-N 3.48Å; K450-K453 PolarHBondContact O-N 3.42Å; K450-L454 VanDerWaalsContact O-CB 3.28Å; K450-L454 WeakPolarHBondContact O-CB 3.16Å; K450-L454 WeakPolarHBondContact O-CG 3.48Å; K450-L454 PolarHBondContact O-N 3.05Å
451	A	98.8	Very high	98.8	Very high	8 Å²	8	47.7 Å²	47.7	7%	0.066	26%	0.261	C	S	.	.	H	α-helix	trans	-58.7	-51.6	-179.2	0	0	0	0	0	111.4	T445 N447 L448 A455 I465	T445-A451 HydrophobicContact CG2-CB 3.75Å; N447-A451 WeakPolarHBondContact O-CB 3.14Å; N447-A451 PolarHBondContact O-N 2.94Å; L448-A451 WeakPolarHBondContact O-CB 3.18Å; L448-A451 PolarHBondContact O-N 3.39Å; A451-A455 VanDerWaalsContact O-CB 3.23Å; A451-A455 WeakPolarHBondContact O-CB 3.47Å; A451-A455 PolarHBondContact O-N 3.43Å; A451-I465 HydrophobicContact CB-CD1 4.23Å; A451-I465 HydrophobicContact CB-CG2 4.06Å
452	L	98.7	Very high	98.8	Very high	96 Å²	96	48.9 Å²	48.9	50%	0.503	27%	0.269	S	S	.	.	H	α-helix	trans	-68.2	-41.5	-179.3	-66.1	178.2	0	0	0	112.1	L448 A455 S456	L448-L452 HydrophobicContact CD1-CD1 3.89Å; L448-L452 HydrophobicContact CD1-CG 4.07Å; L448-L452 HydrophobicContact CG-CD1 4.07Å; L448-L452 WeakPolarHBondContact O-CG 3.38Å; L448-L452 PolarHBondContact O-N 3.29Å; L452-A455 PolarHBondContact O-N 3.04Å; L452-S456 WeakPolarHBondContact O-CB 3.48Å; L452-S456 PolarHBondContact O-N 2.76Å; L452-S456 PolarHBondContact O-OG 2.82Å
453	K	98.7	Very high	98.8	Very high	100 Å²	100	50.8 Å²	50.8	44%	0.435	28%	0.28	S	S	.	.	H	α-helix	trans	-63	-48.1	179.2	-178.4	173.5	-179.7	175.2	0	111.7	I425 E426 D449 K450 S456 A457	I425-K453 HydrophobicContact CG2-CD 4.46Å; E426-K453 WeakPolarHBondContact OE1-CE 3.46Å; E426-K453 IonicContact OE1-NZ 2.72Å; E426-K453 PolarHBondContact OE1-NZ 3.39Å; D449-K453 WeakPolarHBondContact O-CB 3.35Å; D449-K453 PolarHBondContact O-N 3.31Å; K450-K453 PolarHBondContact O-N 3.42Å; K453-S456 PolarHBondContact O-N 2.84Å; K453-A457 VanDerWaalsContact O-CB 3.29Å; K453-A457 WeakPolarHBondContact O-CB 3.35Å; K453-A457 PolarHBondContact O-N 3.1Å
454	L	98.8	Very high	98.8	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-63.9	-48.2	177.2	-75.7	167.3	0	0	0	110.8	I288 I425 V428 I429 V443 K450 S456 A457 L458	I288-L454 HydrophobicContact CD1-CD2 4.01Å; I288-L454 HydrophobicContact CG2-CD1 4.29Å; I425-L454 HydrophobicContact CD1-CD1 4.33Å; I425-L454 HydrophobicContact CG2-CD2 3.9Å; I425-L454 HydrophobicContact CG2-CG 4.07Å; V428-L454 HydrophobicContact CG1-CD2 4.18Å; I429-L454 HydrophobicContact CD1-CD2 4.06Å; I429-L454 HydrophobicContact CG1-CD2 3.57Å; V443-L454 HydrophobicContact CB-CD1 4.48Å; V443-L454 HydrophobicContact CG1-CB 4.15Å; V443-L454 HydrophobicContact CG1-CD1 3.47Å; V443-L454 VanDerWaalsContact CG1-CD1 3.47Å; V443-L454 HydrophobicContact CG1-CG 4.45Å; V443-L454 HydrophobicContact CG2-CB 3.7Å; V443-L454 HydrophobicContact CG2-CD1 4.16Å; V443-L454 HydrophobicContact CG2-CG 4.5Å; K450-L454 VanDerWaalsContact O-CB 3.28Å; K450-L454 WeakPolarHBondContact O-CB 3.16Å; K450-L454 WeakPolarHBondContact O-CG 3.48Å; K450-L454 PolarHBondContact O-N 3.05Å; L454-S456 PolarHBondContact O-N 2.78Å; L454-A457 PolarHBondContact O-N 2.7Å; L454-A457 VanDerWaalsContact O-N 3.12Å; L454-L458 HydrophobicContact CB-CD1 4.42Å; L454-L458 WeakPolarHBondContact O-CB 3.2Å; L454-L458 WeakPolarHBondContact O-CD1 3.47Å; L454-L458 WeakPolarHBondContact O-CG 3.31Å; L454-L458 PolarHBondContact O-N 3.12Å
455	A	98.6	Very high	98.8	Very high	30 Å²	30	54.4 Å²	54.4	25%	0.248	30%	0.298	C	S	.	.	H	α-helix	trans	-59.6	-35.2	178.9	0	0	0	0	0	113.4	A451 L452 V463 I465	A451-A455 VanDerWaalsContact O-CB 3.23Å; A451-A455 WeakPolarHBondContact O-CB 3.47Å; A451-A455 PolarHBondContact O-N 3.43Å; L452-A455 PolarHBondContact O-N 3.04Å; A455-V463 HydrophobicContact CB-CB 4.49Å; A455-V463 HydrophobicContact CB-CG1 4.09Å; A455-I465 HydrophobicContact CB-CD1 4.03Å
456	S	98.7	Very high	98.8	Very high	104 Å²	104	57.1 Å²	57.1	73%	0.727	31%	0.312	S	S	*	.	H	α-helix	trans	-74.6	-31.5	177	-52.3	0	0	0	0	113.2	L452 K453 L454	L452-S456 WeakPolarHBondContact O-CB 3.48Å; L452-S456 PolarHBondContact O-N 2.76Å; L452-S456 PolarHBondContact O-OG 2.82Å; K453-S456 PolarHBondContact O-N 2.84Å; L454-S456 PolarHBondContact O-N 2.78Å
457	A	98.8	Very high	98.8	Very high	35 Å²	35	52.2 Å²	52.2	29%	0.289	30%	0.296	S	S	.	.	H	α-helix	trans	-91.4	-19.4	-173.1	0	0	0	0	0	113.8	I429 N433 K453 L454	I429-A457 HydrophobicContact CD1-CB 3.78Å; I429-A457 HydrophobicContact CG1-CB 4.13Å; I429-A457 HydrophobicContact CG2-CB 3.87Å; N433-A457 PolarHBondContact ND2-O 2.8Å; K453-A457 VanDerWaalsContact O-CB 3.29Å; K453-A457 WeakPolarHBondContact O-CB 3.35Å; K453-A457 PolarHBondContact O-N 3.1Å; L454-A457 PolarHBondContact O-N 2.7Å; L454-A457 VanDerWaalsContact O-N 3.12Å
458	L	98.8	Very high	98.7	Very high	10 Å²	10	50.3 Å²	50.3	5%	0.052	29%	0.285	C	S	.	.			trans	-76.2	127.5	-178.3	-72	167.5	0	0	0	111.3	I288 A432 A441 V443 L454 S460 V463	I288-L458 HydrophobicContact CD1-CD1 4.15Å; I288-L458 HydrophobicContact CD1-CD2 3.96Å; A432-L458 HydrophobicContact CB-CD2 3.54Å; A441-L458 HydrophobicContact CB-CD1 3.94Å; V443-L458 HydrophobicContact CG2-CD1 3.75Å; L454-L458 HydrophobicContact CB-CD1 4.42Å; L454-L458 WeakPolarHBondContact O-CB 3.2Å; L454-L458 WeakPolarHBondContact O-CD1 3.47Å; L454-L458 WeakPolarHBondContact O-CG 3.31Å; L454-L458 PolarHBondContact O-N 3.12Å; L458-S460 PolarHBondContact O-N 2.69Å; L458-V463 HydrophobicContact CB-CG2 4.22Å; L458-V463 HydrophobicContact CD1-CG1 4.09Å
459	E	98.8	Very high	98.7	Very high	84 Å²	84	46.4 Å²	46.4	39%	0.393	26%	0.264	S	S	.	.			trans	-86.4	57.7	-178.2	-65	171.3	163.3	0	0	110.8	N433 G438 F480 K481	N433-E459 HydrophobicContact CB-CG 4.49Å; N433-E459 PolarHBondContact OD1-N 3.15Å; G438-E459 WeakPolarHBondContact CA-O 3.35Å; E459-F480 HydrophobicContact CB-CD2 4.43Å; E459-K481 WeakPolarHBondContact OE2-CE 3.46Å; E459-K481 IonicContact OE2-NZ 3.85Å; E459-K481 PolarHBondContact OE2-NZ 3.12Å
460	S	98.8	Very high	98.7	Very high	12 Å²	12	42 Å²	42	8%	0.084	24%	0.244	C	C	.	.			trans	-125.7	146.3	-179.5	-64.1	0	0	0	0	111.5	G438 L458 T462	G438-S460 WeakPolarHBondContact O-CA 3.32Å; L458-S460 PolarHBondContact O-N 2.69Å; S460-T462 VanDerWaalsContact C-N 3.31Å; S460-T462 PolarHBondContact O-N 3.41Å
461	G	98.6	Very high	98.6	Very high	21 Å²	21	42.8 Å²	42.8	22%	0.216	25%	0.251	C	S	.	.	S	Bend	trans	-70	-25.9	-178.3	0	0	0	0	0	115.3	G438 L439 G478 F480	G438-G461 PolarHBondContact O-N 3.44Å; L439-G461 WeakPolarHBondContact O-CA 3.49Å; L439-G461 PolarHBondContact O-N 3.44Å; G461-G478 VanDerWaalsContact CA-O 3.27Å; G461-G478 WeakPolarHBondContact CA-O 3.44Å; G461-F480 VanDerWaalsContact CA-CD1 3.45Å
462	T	98.9	Very high	98.6	Very high	25 Å²	25	48.4 Å²	48.4	15%	0.153	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	130	171.2	-55.4	0	0	0	0	109.1	L439 T440 A441 S460 W464	L439-T462 PolarHBondContact O-N 2.86Å; T440-T462 CarbonylContact C-O 3.48Å; T440-T462 VanDerWaalsContact CA-O 3.26Å; T440-T462 WeakPolarHBondContact CA-O 2.96Å; A441-T462 PolarHBondContact N-O 3.15Å; S460-T462 VanDerWaalsContact C-N 3.31Å; S460-T462 PolarHBondContact O-N 3.41Å; T462-W464 HydrophobicContact CG2-CD2 4.4Å; T462-W464 HydrophobicContact CG2-CZ2 4.19Å
463	V	98.9	Very high	98.6	Very high	40 Å²	40	44.1 Å²	44.1	24%	0.242	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	115.3	173.7	-172.7	0	0	0	0	109.4	A441 V443 A455 L458	A441-V463 HydrophobicContact CB-CG1 4.45Å; A441-V463 HydrophobicContact CB-CG2 4.39Å; A441-V463 WeakPolarHBondContact O-CA 3.47Å; V443-V463 HydrophobicContact CG2-CG1 4.29Å; A455-V463 HydrophobicContact CB-CB 4.49Å; A455-V463 HydrophobicContact CB-CG1 4.09Å; L458-V463 HydrophobicContact CB-CG2 4.22Å; L458-V463 HydrophobicContact CD1-CG1 4.09Å
464	W	98.9	Very high	98.6	Very high	13 Å²	13	44.9 Å²	44.9	5%	0.049	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	141.5	174.6	-61.9	-57	0	0	0	111	T315 T440 A441 A442 V443 T462 C467 Y468 A470 L471	T315-W464 HydrophobicContact CG2-CH2 3.95Å; T440-W464 HydrophobicContact CG2-CH2 3.74Å; T440-W464 HydrophobicContact CG2-CZ2 4.35Å; T440-W464 HydrophobicContact CG2-CZ3 4.04Å; A441-W464 PolarHBondContact O-N 3.06Å; A442-W464 CarbonylContact C-O 3.57Å; A442-W464 VanDerWaalsContact CA-O 3.24Å; A442-W464 WeakPolarHBondContact CA-O 3.5Å; A442-W464 HydrophobicContact CB-CB 4.24Å; V443-W464 PolarHBondContact N-O 3.47Å; T462-W464 HydrophobicContact CG2-CD2 4.4Å; T462-W464 HydrophobicContact CG2-CZ2 4.19Å; W464-C467 VanDerWaalsContact CB-O 3.26Å; W464-C467 WeakPolarHBondContact CB-O 3.42Å; W464-Y468 AromaticContact CE3-CD1 3.94Å; W464-Y468 HydrophobicContact CE3-CD1 3.94Å; W464-Y468 HydrophobicContact CE3-CD2 4.04Å; W464-Y468 AromaticContact CE3-CE1 3.98Å; W464-Y468 HydrophobicContact CE3-CE1 3.98Å; W464-Y468 HydrophobicContact CE3-CE2 4.08Å; W464-Y468 AromaticContact CE3-CG 3.94Å; W464-Y468 HydrophobicContact CE3-CG 3.94Å; W464-Y468 HydrophobicContact CH2-CD1 4.48Å; W464-Y468 HydrophobicContact CH2-CE1 4.35Å; W464-Y468 AromaticContact CZ3-CD1 3.62Å; W464-Y468 HydrophobicContact CZ3-CD1 3.62Å; W464-Y468 HydrophobicContact CZ3-CD2 4.44Å; W464-Y468 AromaticContact CZ3-CE1 3.39Å; W464-Y468 HydrophobicContact CZ3-CE1 3.39Å; W464-Y468 HydrophobicContact CZ3-CE2 4.25Å; W464-Y468 HydrophobicContact CZ3-CG 4.12Å; W464-Y468 AromaticContact CZ3-CZ 3.7Å; W464-A470 PolarHBondContact NE1-O 2.65Å; W464-L471 HydrophobicContact CZ2-CD2 4.05Å; W464-L471 HydrophobicContact CZ2-CG 4.31Å
465	I	98.9	Very high	98.6	Very high	64 Å²	64	47 Å²	47	33%	0.328	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	122.9	175.1	-62.3	165.9	0	0	0	107.8	V443 A451 A455 C467	V443-I465 CarbonylContact O-C 3.33Å; V443-I465 VanDerWaalsContact O-CA 3.31Å; V443-I465 WeakPolarHBondContact O-CA 3.37Å; A451-I465 HydrophobicContact CB-CD1 4.23Å; A451-I465 HydrophobicContact CB-CG2 4.06Å; A455-I465 HydrophobicContact CB-CD1 4.03Å; I465-C467 PolarHBondContact O-N 3.27Å; I465-C467 VanDerWaalsContact O-N 3.15Å
466	N	98.8	Very high	98.6	Very high	59 Å²	59	47.8 Å²	47.8	32%	0.316	28%	0.275	S	S	.	.	S	Bend	trans	54.5	28.4	-179.1	-60.2	-37	0	0	0	114.3	L297 V443 F444 T445	L297-N466 HydrophobicContact CD2-CB 4.4Å; V443-N466 PolarHBondContact O-N 3.49Å; F444-N466 WeakPolarHBondContact CA-OD1 3.39Å; T445-N466 PolarHBondContact N-OD1 2.94Å; T445-N466 PolarHBondContact O-ND2 3.13Å; T445-N466 PolarHBondContact O-OD1 3.31Å
467	C	98.8	Very high	98.6	Very high	45 Å²	45	43.1 Å²	43.1	30%	0.304	24%	0.241	S	C	.	.			trans	-158	174.6	172.1	61.4	0	0	0	0	110	W464 I465	W464-C467 VanDerWaalsContact CB-O 3.26Å; W464-C467 WeakPolarHBondContact CB-O 3.42Å; I465-C467 PolarHBondContact O-N 3.27Å; I465-C467 VanDerWaalsContact O-N 3.15Å
468	Y	98.5	Very high	98.6	Very high	22 Å²	22	41.4 Å²	41.4	9%	0.086	23%	0.227	C	C	.	.	S	Bend	trans	-148.3	150.6	175.1	-146.5	-82.4	0	0	0	110	C287 G305 T315 A317 A442 W464 A470	C287-Y468 HydrophobicContact CB-CE2 4.13Å; G305-Y468 VanDerWaalsContact CA-CD1 3.48Å; T315-Y468 VanDerWaalsContact O-CE1 3.24Å; T315-Y468 WeakPolarHBondContact O-CE1 3.34Å; T315-Y468 PolarHBondContact O-OH 3.4Å; A317-Y468 VanDerWaalsContact CA-OH 3.31Å; A317-Y468 WeakPolarHBondContact CA-OH 3.34Å; A317-Y468 HydrophobicContact CB-CE1 4.03Å; A317-Y468 HydrophobicContact CB-CE2 3.8Å; A317-Y468 WeakPolarHBondContact CB-OH 3.18Å; A442-Y468 HydrophobicContact CB-CD2 3.28Å; A442-Y468 HydrophobicContact CB-CE2 3.29Å; A442-Y468 HydrophobicContact CB-CG 4.49Å; W464-Y468 AromaticContact CE3-CD1 3.94Å; W464-Y468 HydrophobicContact CE3-CD1 3.94Å; W464-Y468 HydrophobicContact CE3-CD2 4.04Å; W464-Y468 AromaticContact CE3-CE1 3.98Å; W464-Y468 HydrophobicContact CE3-CE1 3.98Å; W464-Y468 HydrophobicContact CE3-CE2 4.08Å; W464-Y468 AromaticContact CE3-CG 3.94Å; W464-Y468 HydrophobicContact CE3-CG 3.94Å; W464-Y468 HydrophobicContact CH2-CD1 4.48Å; W464-Y468 HydrophobicContact CH2-CE1 4.35Å; W464-Y468 AromaticContact CZ3-CD1 3.62Å; W464-Y468 HydrophobicContact CZ3-CD1 3.62Å; W464-Y468 HydrophobicContact CZ3-CD2 4.44Å; W464-Y468 AromaticContact CZ3-CE1 3.39Å; W464-Y468 HydrophobicContact CZ3-CE1 3.39Å; W464-Y468 HydrophobicContact CZ3-CE2 4.25Å; W464-Y468 HydrophobicContact CZ3-CG 4.12Å; W464-Y468 AromaticContact CZ3-CZ 3.7Å; Y468-A470 PolarHBondContact O-N 3.18Å; Y468-A470 VanDerWaalsContact O-N 3.13Å
469	N	97.6	Very high	98.6	Very high	39 Å²	39	41.1 Å²	41.1	21%	0.209	23%	0.226	C	C	.	.	S	Bend	trans	55.3	26.5	-178.6	-69.5	-24.7	0	0	0	114.6	T315 L471	T315-N469 WeakPolarHBondContact CB-OD1 3.18Å; T315-N469 PolarHBondContact OG1-OD1 2.86Å; N469-L471 VanDerWaalsContact C-N 3.28Å; N469-L471 PolarHBondContact O-N 2.83Å
470	A	98.1	Very high	98.6	Very high	27 Å²	27	41.4 Å²	41.4	22%	0.223	23%	0.227	C	C	.	.			trans	-78.8	78.4	175.2	0	0	0	0	0	109.9	W464 Y468 Y472	W464-A470 PolarHBondContact NE1-O 2.65Å; Y468-A470 PolarHBondContact O-N 3.18Å; Y468-A470 VanDerWaalsContact O-N 3.13Å; A470-Y472 HydrophobicContact CB-CE2 3.98Å
471	L	98.2	Very high	98.6	Very high	65 Å²	65	44.9 Å²	44.9	34%	0.34	24%	0.24	S	C	.	.			trans	-97.1	140.3	179.7	-65.2	168.1	0	0	0	110.6	W189 W464 N469 F477	W189-L471 HydrophobicContact CH2-CD1 4.17Å; W189-L471 HydrophobicContact CZ2-CD1 4.46Å; W464-L471 HydrophobicContact CZ2-CD2 4.05Å; W464-L471 HydrophobicContact CZ2-CG 4.31Å; N469-L471 VanDerWaalsContact C-N 3.28Å; N469-L471 PolarHBondContact O-N 2.83Å; L471-F477 HydrophobicContact CD2-CD2 3.45Å; L471-F477 VanDerWaalsContact CD2-CD2 3.45Å; L471-F477 HydrophobicContact CD2-CE2 3.81Å; L471-F477 HydrophobicContact CD2-CG 4.19Å
472	Y	98.4	Very high	98.6	Very high	125 Å²	125	47 Å²	47	49%	0.49	25%	0.245	S	C	.	.			trans	-140.4	138.4	-176.7	-62.2	-78.8	0	0	0	109.4	A470 Q474 A475	A470-Y472 HydrophobicContact CB-CE2 3.98Å; Y472-Q474 PolarHBondContact O-N 2.86Å; Y472-A475 PolarHBondContact O-N 2.7Å
473	A	98.6	Very high	98.6	Very high	7 Å²	7	45.8 Å²	45.8	6%	0.058	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-24.4	176.9	0	0	0	0	0	112.7	Y143 G490	Y143-A473 HydrophobicContact CD1-CB 4.11Å; Y143-A473 VanDerWaalsContact CD1-O 3.25Å; Y143-A473 WeakPolarHBondContact CD1-O 3.25Å; Y143-A473 HydrophobicContact CD2-CB 4.48Å; Y143-A473 WeakPolarHBondContact CE1-O 3.43Å; Y143-A473 HydrophobicContact CG-CB 3.83Å; A473-G490 WeakPolarHBondContact O-CA 3.49Å; A473-G490 PolarHBondContact O-N 3.3Å
474	Q	98.7	Very high	98.6	Very high	116 Å²	116	44 Å²	44	54%	0.542	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78	-27	178.6	-57.4	77.1	4	0	0	113.7	Y143 Y472 G490	Y143-Q474 HydrophobicContact CD2-CG 3.89Å; Y143-Q474 HydrophobicContact CE2-CB 4.03Å; Y143-Q474 HydrophobicContact CE2-CG 3.62Å; Y472-Q474 PolarHBondContact O-N 2.86Å; Q474-G490 VanDerWaalsContact O-CA 3.25Å; Q474-G490 WeakPolarHBondContact O-CA 3.14Å
475	A	98.8	Very high	98.6	Very high	43 Å²	43	46.1 Å²	46.1	36%	0.355	24%	0.24	S	C	.	.	S	Bend	trans	-97	132.9	-175	0	0	0	0	0	109.9	Y472 L489	Y472-A475 PolarHBondContact O-N 2.7Å; A475-L489 VanDerWaalsContact O-CB 3.23Å; A475-L489 WeakPolarHBondContact O-CB 3.28Å
476	P	98.8	Very high	98.5	Very high	48 Å²	48	44 Å²	44	31%	0.312	24%	0.235	S	C	.	.			trans	-66.2	142.7	175.5	30.2	-35.5	0	0	0	110.6	R487 E488 Y492	P476-R487 HydrophobicContact CB-CB 4.16Å; P476-R487 HydrophobicContact CB-CG 4.34Å; P476-E488 CarbonylContact C-O 3.59Å; P476-E488 WeakPolarHBondContact CA-O 3.5Å; P476-Y492 HydrophobicContact CB-CD2 3.83Å; P476-Y492 HydrophobicContact CB-CG 4.31Å; P476-Y492 HydrophobicContact CG-CD2 3.68Å; P476-Y492 HydrophobicContact CG-CE2 4.11Å
477	F	98.9	Very high	98.5	Very high	5 Å²	5	44.1 Å²	44.1	2%	0.022	23%	0.23	C	C	.	.	B	Isolated β-bridge	trans	-126.2	137.3	175.1	-179	-94.2	0	0	0	109.2	W189 T315 L439 T440 L471 R487 E488	W189-F477 HydrophobicContact CH2-CD1 4.24Å; W189-F477 HydrophobicContact CH2-CG 4.35Å; W189-F477 HydrophobicContact CZ3-CB 4.37Å; W189-F477 AromaticContact CZ3-CD1 3.67Å; W189-F477 HydrophobicContact CZ3-CD1 3.67Å; W189-F477 HydrophobicContact CZ3-CE1 4.24Å; W189-F477 HydrophobicContact CZ3-CG 4.15Å; T315-F477 HydrophobicContact CG2-CE2 3.71Å; T315-F477 HydrophobicContact CG2-CZ 3.61Å; L439-F477 HydrophobicContact CD1-CE1 3.92Å; L439-F477 HydrophobicContact CD1-CZ 3.85Å; L439-F477 HydrophobicContact CD2-CE1 4.35Å; L439-F477 HydrophobicContact CD2-CZ 3.87Å; L439-F477 HydrophobicContact CG-CE1 4.33Å; L439-F477 HydrophobicContact CG-CZ 3.79Å; T440-F477 HydrophobicContact CG2-CE2 3.58Å; T440-F477 HydrophobicContact CG2-CZ 4.13Å; L471-F477 HydrophobicContact CD2-CD2 3.45Å; L471-F477 VanDerWaalsContact CD2-CD2 3.45Å; L471-F477 HydrophobicContact CD2-CE2 3.81Å; L471-F477 HydrophobicContact CD2-CG 4.19Å; F477-R487 CarbonylContact O-C 3.42Å; F477-R487 WeakPolarHBondContact O-CA 3.4Å; F477-R487 WeakPolarHBondContact O-CD 3.22Å; F477-E488 PolarHBondContact N-O 2.95Å; F477-E488 PolarHBondContact O-N 3.15Å
478	G	98.5	Very high	98.5	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.217	C	C	.	.			trans	160.7	164.6	168.2	0	0	0	0	0	115.4	E280 G461 R487	E280-G478 VanDerWaalsContact CD-CA 3.48Å; E280-G478 WeakPolarHBondContact OE1-CA 3.1Å; E280-G478 VanDerWaalsContact OE2-CA 3.31Å; E280-G478 WeakPolarHBondContact OE2-CA 3.4Å; G461-G478 VanDerWaalsContact CA-O 3.27Å; G461-G478 WeakPolarHBondContact CA-O 3.44Å; G478-R487 VanDerWaalsContact O-CZ 3.24Å; G478-R487 PolarHBondContact O-NE 3.16Å; G478-R487 PolarHBondContact O-NH1 3.43Å
479	G	98.3	Very high	98.6	Very high	3 Å²	3	41.3 Å²	41.3	3%	0.031	21%	0.214	C	C	.	.			trans	-77	147.5	-165.7	0	0	0	0	0	116.8	R487	G479-R487 PolarHBondContact O-NH1 3.09Å
480	F	98.6	Very high	98.6	Very high	91 Å²	91	39.4 Å²	39.4	40%	0.399	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	165.7	153	-84.8	49.2	0	0	0	110	G438 E459 G461 M482 S483	G438-F480 WeakPolarHBondContact O-CB 3.36Å; G438-F480 PolarHBondContact O-N 3Å; E459-F480 HydrophobicContact CB-CD2 4.43Å; G461-F480 VanDerWaalsContact CA-CD1 3.45Å; F480-M482 PolarHBondContact O-N 2.88Å; F480-S483 WeakPolarHBondContact O-CB 3.29Å; F480-S483 PolarHBondContact O-N 2.82Å
481	K	98.6	Very high	98.6	Very high	84 Å²	84	43.8 Å²	43.8	37%	0.365	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	51.4	-125.7	173.2	-56.8	176.2	179.7	173.1	0	112.2	N433 T435 D436 E459 S483	N433-K481 PolarHBondContact O-NZ 2.92Å; T435-K481 PolarHBondContact O-NZ 3.18Å; D436-K481 WeakPolarHBondContact O-CB 3.21Å; E459-K481 WeakPolarHBondContact OE2-CE 3.46Å; E459-K481 IonicContact OE2-NZ 3.85Å; E459-K481 PolarHBondContact OE2-NZ 3.12Å; K481-S483 VanDerWaalsContact C-N 3.33Å
482	M	98.7	Very high	98.7	Very high	65 Å²	65	48.5 Å²	48.5	32%	0.32	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	2.4	179.8	-62.7	-174.1	46.2	0	0	113.8	T259 L281 D436 F480 G484	T259-M482 HydrophobicContact CG2-CB 4.23Å; T259-M482 HydrophobicContact CG2-CE 3.7Å; L281-M482 WeakPolarHBondContact CD1-O 3.42Å; D436-M482 HydrophobicContact CB-CB 4.47Å; D436-M482 HydrophobicContact CB-CG 4.27Å; D436-M482 HydrophobicContact CB-SD 3.83Å; D436-M482 WeakPolarHBondContact O-CB 3.33Å; D436-M482 PolarHBondContact O-N 2.97Å; F480-M482 PolarHBondContact O-N 2.88Å; M482-G484 VanDerWaalsContact C-N 3.3Å
483	S	98.8	Very high	98.7	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-9.1	175	-71.4	0	0	0	0	113.5	L281 G282 Y437 G438 L439 F480 K481	L281-S483 WeakPolarHBondContact CA-O 3.5Å; L281-S483 WeakPolarHBondContact CB-O 3.49Å; L281-S483 PolarHBondContact N-O 2.83Å; G282-S483 WeakPolarHBondContact O-CB 3.37Å; G282-S483 PolarHBondContact O-OG 3.38Å; Y437-S483 WeakPolarHBondContact CA-OG 3.34Å; Y437-S483 WeakPolarHBondContact CB-OG 3.46Å; G438-S483 PolarHBondContact N-OG 3.12Å; L439-S483 PolarHBondContact N-OG 3.44Å; F480-S483 WeakPolarHBondContact O-CB 3.29Å; F480-S483 PolarHBondContact O-N 2.82Å; K481-S483 VanDerWaalsContact C-N 3.33Å
484	G	98.6	Very high	98.7	Very high	3 Å²	3	42.8 Å²	42.8	3%	0.031	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	165.6	173.9	175.2	0	0	0	0	0	116	L279 M482	L279-G484 CarbonylContact O-C 3.58Å; L279-G484 WeakPolarHBondContact O-CA 3.48Å; M482-G484 VanDerWaalsContact C-N 3.3Å
485	N	98.9	Very high	98.7	Very high	57 Å²	57	40 Å²	40	31%	0.305	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	126.4	172.6	-65.2	157	0	0	0	109.1	K266 T278 L279	K266-N485 PolarHBondContact NZ-OD1 3.39Å; T278-N485 VanDerWaalsContact CA-O 3.27Å; T278-N485 WeakPolarHBondContact CA-O 3.36Å; T278-N485 WeakPolarHBondContact CB-O 3.14Å; L279-N485 PolarHBondContact N-O 2.94Å; L279-N485 PolarHBondContact O-N 3.12Å
486	G	98.6	Very high	98.7	Very high	21 Å²	21	40 Å²	40	22%	0.216	20%	0.2	C	C	.	.	S	Bend	trans	86.7	-171.4	-172.8	0	0	0	0	0	112.6	E496	G486-E496 WeakPolarHBondContact CA-OE1 3.25Å
487	R	98.8	Very high	98.7	Very high	60 Å²	60	38 Å²	38	23%	0.226	19%	0.186	C	C	.	.			trans	-135.4	143.5	174.6	-64.9	-65.8	178.6	-96	5	110.2	P476 F477 G478 G479 A493	P476-R487 HydrophobicContact CB-CB 4.16Å; P476-R487 HydrophobicContact CB-CG 4.34Å; F477-R487 CarbonylContact O-C 3.42Å; F477-R487 WeakPolarHBondContact O-CA 3.4Å; F477-R487 WeakPolarHBondContact O-CD 3.22Å; G478-R487 VanDerWaalsContact O-CZ 3.24Å; G478-R487 PolarHBondContact O-NE 3.16Å; G478-R487 PolarHBondContact O-NH1 3.43Å; G479-R487 PolarHBondContact O-NH1 3.09Å; R487-A493 WeakPolarHBondContact O-CA 3.48Å
488	E	98.8	Very high	98.7	Very high	6 Å²	6	38.1 Å²	38.1	3%	0.028	19%	0.187	C	C	.	.	B	Isolated β-bridge	trans	-102.9	167.1	164.9	-62.1	-165.8	144.7	0	0	110	W189 K190 E280 P476 F477	W189-E488 HydrophobicContact CE3-CB 4.36Å; K190-E488 WeakPolarHBondContact CG-OE1 3.5Å; K190-E488 VanDerWaalsContact NZ-CD 3.3Å; K190-E488 IonicContact NZ-OE1 3.94Å; K190-E488 PolarHBondContact NZ-OE1 3.49Å; K190-E488 IonicContact NZ-OE2 2.86Å; K190-E488 PolarHBondContact NZ-OE2 2.97Å; K190-E488 VanDerWaalsContact NZ-OE2 3.15Å; E280-E488 HydrophobicContact CG-CG 4.12Å; P476-E488 CarbonylContact C-O 3.59Å; P476-E488 WeakPolarHBondContact CA-O 3.5Å; F477-E488 PolarHBondContact N-O 2.95Å; F477-E488 PolarHBondContact O-N 3.15Å
489	L	98.8	Very high	98.7	Very high	2 Å²	2	42.2 Å²	42.2	1%	0.01	21%	0.207	C	C	.	.	S	Bend	trans	57.2	174.9	-171.2	-57.3	-176.4	0	0	0	114.7	T140 F144 W189 A475 A493	T140-L489 HydrophobicContact CG2-CD2 3.76Å; F144-L489 HydrophobicContact CE2-CD2 4.16Å; W189-L489 HydrophobicContact CD2-CD1 4.16Å; W189-L489 HydrophobicContact CD2-CD2 3.97Å; W189-L489 HydrophobicContact CD2-CG 3.98Å; W189-L489 HydrophobicContact CE3-CD1 4.38Å; W189-L489 HydrophobicContact CE3-CG 4.21Å; W189-L489 HydrophobicContact CG-CD2 3.97Å; W189-L489 HydrophobicContact CG-CG 4.47Å; W189-L489 HydrophobicContact CH2-CD1 3.73Å; W189-L489 HydrophobicContact CH2-CG 4.42Å; W189-L489 HydrophobicContact CZ2-CD1 3.47Å; W189-L489 VanDerWaalsContact CZ2-CD1 3.47Å; W189-L489 HydrophobicContact CZ2-CG 4.22Å; W189-L489 HydrophobicContact CZ3-CD1 4.19Å; W189-L489 HydrophobicContact CZ3-CG 4.42Å; A475-L489 VanDerWaalsContact O-CB 3.23Å; A475-L489 WeakPolarHBondContact O-CB 3.28Å; L489-A493 VanDerWaalsContact O-CB 3.23Å; L489-A493 WeakPolarHBondContact O-CB 3.44Å; L489-A493 PolarHBondContact O-N 3.33Å
490	G	98.6	Very high	98.8	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.4	-173.4	-177.6	0	0	0	0	0	113.7	F144 A473 Q474 Y492	F144-G490 WeakPolarHBondContact CE1-O 3.42Å; F144-G490 WeakPolarHBondContact CZ-O 3.17Å; A473-G490 WeakPolarHBondContact O-CA 3.49Å; A473-G490 PolarHBondContact O-N 3.3Å; Q474-G490 VanDerWaalsContact O-CA 3.25Å; Q474-G490 WeakPolarHBondContact O-CA 3.14Å; G490-Y492 VanDerWaalsContact C-N 3.28Å
491	E	98.9	Very high	98.8	Very high	119 Å²	119	45.9 Å²	45.9	56%	0.556	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-34.3	172.9	-175.9	-179.3	168.7	0	0	111.6	Y143 W147 A493 L494	Y143-E491 PolarHBondContact OH-N 2.96Å; W147-E491 HydrophobicContact CH2-CB 3.9Å; W147-E491 VanDerWaalsContact CH2-CD 3.48Å; W147-E491 HydrophobicContact CH2-CG 3.52Å; W147-E491 HydrophobicContact CZ2-CB 3.74Å; W147-E491 HydrophobicContact CZ2-CG 3.89Å; W147-E491 HydrophobicContact CZ3-CG 3.98Å; E491-A493 PolarHBondContact O-N 2.96Å; E491-L494 HydrophobicContact CG-CD1 4.23Å; E491-L494 VanDerWaalsContact O-CB 3.25Å; E491-L494 WeakPolarHBondContact O-CB 3.39Å; E491-L494 VanDerWaalsContact O-CG 3.28Å; E491-L494 WeakPolarHBondContact O-CG 3.38Å; E491-L494 PolarHBondContact O-N 2.85Å
492	Y	98.8	Very high	98.8	Very high	163 Å²	163	45.9 Å²	45.9	64%	0.639	24%	0.235	S	C	*	.	H	α-helix	trans	-60.6	-29.9	-176.5	-66.1	-85.9	0	0	0	113.6	P476 G490 L494 A495	P476-Y492 HydrophobicContact CB-CD2 3.83Å; P476-Y492 HydrophobicContact CB-CG 4.31Å; P476-Y492 HydrophobicContact CG-CD2 3.68Å; P476-Y492 HydrophobicContact CG-CE2 4.11Å; G490-Y492 VanDerWaalsContact C-N 3.28Å; Y492-L494 PolarHBondContact O-N 2.76Å; Y492-A495 WeakPolarHBondContact O-CB 3.45Å; Y492-A495 PolarHBondContact O-N 3.29Å
493	A	98.8	Very high	98.8	Very high	1 Å²	1	44.7 Å²	44.7	1%	0.008	23%	0.231	C	C	.	.	H	α-helix	trans	-58.9	-29.1	174	0	0	0	0	0	113.1	F144 P193 R487 L489 E491 A495 E496 Y497	F144-A493 HydrophobicContact CE1-CB 4.22Å; F144-A493 HydrophobicContact CZ-CB 3.92Å; P193-A493 HydrophobicContact CB-CB 4.19Å; R487-A493 WeakPolarHBondContact O-CA 3.48Å; L489-A493 VanDerWaalsContact O-CB 3.23Å; L489-A493 WeakPolarHBondContact O-CB 3.44Å; L489-A493 PolarHBondContact O-N 3.33Å; E491-A493 PolarHBondContact O-N 2.96Å; A493-A495 VanDerWaalsContact C-N 3.29Å; A493-A495 PolarHBondContact O-N 2.95Å; A493-E496 WeakPolarHBondContact O-CB 3.33Å; A493-E496 PolarHBondContact O-N 3.26Å; A493-E496 VanDerWaalsContact O-N 3.15Å; A493-Y497 WeakPolarHBondContact O-CD2 3.25Å
494	L	98.9	Very high	98.8	Very high	12 Å²	12	49 Å²	49	6%	0.063	26%	0.258	C	S	.	.	H	α-helix	trans	-63.7	-37.3	-178	-57.5	173.9	0	0	0	111.6	F144 W147 I151 E491 Y492 E496 Y497 T498	F144-L494 HydrophobicContact CD1-CD2 3.91Å; F144-L494 HydrophobicContact CE1-CD2 3.92Å; F144-L494 HydrophobicContact CE1-CG 4.43Å; W147-L494 HydrophobicContact CB-CD1 4.12Å; W147-L494 HydrophobicContact CB-CD2 4.28Å; W147-L494 HydrophobicContact CD2-CD1 3.66Å; W147-L494 HydrophobicContact CE3-CD1 3.55Å; W147-L494 HydrophobicContact CG-CD1 3.92Å; W147-L494 HydrophobicContact CZ3-CD1 4.19Å; I151-L494 HydrophobicContact CD1-CD2 4.47Å; I151-L494 HydrophobicContact CG1-CD1 4.15Å; E491-L494 HydrophobicContact CG-CD1 4.23Å; E491-L494 VanDerWaalsContact O-CB 3.25Å; E491-L494 WeakPolarHBondContact O-CB 3.39Å; E491-L494 VanDerWaalsContact O-CG 3.28Å; E491-L494 WeakPolarHBondContact O-CG 3.38Å; E491-L494 PolarHBondContact O-N 2.85Å; Y492-L494 PolarHBondContact O-N 2.76Å; L494-E496 PolarHBondContact O-N 3.17Å; L494-Y497 CarbonylContact O-C 3.55Å; L494-Y497 PolarHBondContact O-N 2.94Å; L494-T498 WeakPolarHBondContact O-CG2 3.44Å; L494-T498 PolarHBondContact O-N 3.13Å; L494-T498 VanDerWaalsContact O-N 3.16Å; L494-T498 PolarHBondContact O-OG1 2.85Å
495	A	98.8	Very high	98.7	Very high	56 Å²	56	52.7 Å²	52.7	46%	0.463	28%	0.276	S	S	.	.	H	α-helix	trans	-58.5	-32.4	177.9	0	0	0	0	0	111.8	R276 Y492 A493 Y497	R276-A495 PolarHBondContact NH2-O 2.95Å; Y492-A495 WeakPolarHBondContact O-CB 3.45Å; Y492-A495 PolarHBondContact O-N 3.29Å; A493-A495 VanDerWaalsContact C-N 3.29Å; A493-A495 PolarHBondContact O-N 2.95Å; A495-Y497 PolarHBondContact O-N 3.4Å
496	E	98.8	Very high	98.6	Very high	45 Å²	45	57.8 Å²	57.8	21%	0.21	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-14.8	178.5	-54.9	-57.2	171.1	0	0	113.4	I171 K252 R276 T278 G486 A493 L494	I171-E496 WeakPolarHBondContact CD1-O 3.47Å; K252-E496 WeakPolarHBondContact CD-O 3.49Å; K252-E496 WeakPolarHBondContact CE-O 3.49Å; K252-E496 PolarHBondContact NZ-O 3.13Å; R276-E496 IonicContact NH2-OE2 3.77Å; T278-E496 HydrophobicContact CG2-CB 3.97Å; T278-E496 HydrophobicContact CG2-CG 3.79Å; T278-E496 WeakPolarHBondContact CG2-OE2 3.48Å; G486-E496 WeakPolarHBondContact CA-OE1 3.25Å; A493-E496 WeakPolarHBondContact O-CB 3.33Å; A493-E496 PolarHBondContact O-N 3.26Å; A493-E496 VanDerWaalsContact O-N 3.15Å; L494-E496 PolarHBondContact O-N 3.17Å
497	Y	98.9	Very high	98.4	Very high	4 Å²	4	60.8 Å²	60.8	2%	0.016	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119	11.9	-177.9	-68.8	-72.5	0	0	0	113.6	C174 P193 A194 C197 N199 K252 A254 A493 L494 A495	C174-Y497 HydrophobicContact CB-CE1 4.5Å; P193-Y497 HydrophobicContact CB-CD2 3.76Å; P193-Y497 HydrophobicContact CB-CE2 3.96Å; P193-Y497 HydrophobicContact CG-CD2 3.99Å; P193-Y497 HydrophobicContact CG-CE2 3.63Å; A194-Y497 HydrophobicContact CB-CD1 3.63Å; A194-Y497 HydrophobicContact CB-CE1 3.63Å; A194-Y497 HydrophobicContact CB-CG 4.17Å; C197-Y497 WeakPolarHBondContact CB-O 3.47Å; N199-Y497 PolarHBondContact ND2-O 3.09Å; K252-Y497 HydrophobicContact CD-CD1 3.95Å; K252-Y497 HydrophobicContact CD-CE1 4.02Å; K252-Y497 VanDerWaalsContact CE-CE1 3.44Å; A254-Y497 WeakPolarHBondContact CB-OH 3.29Å; A493-Y497 WeakPolarHBondContact O-CD2 3.25Å; L494-Y497 CarbonylContact O-C 3.55Å; L494-Y497 PolarHBondContact O-N 2.94Å; A495-Y497 PolarHBondContact O-N 3.4Å
498	T	98.9	Very high	98	Very high	8 Å²	8	61.6 Å²	61.6	5%	0.049	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	142.4	173.9	57.3	0	0	0	0	112.4	I151 H168 E169 C197 R276 L494	I151-T498 HydrophobicContact CG2-CG2 4Å; H168-T498 HydrophobicContact CB-CG2 4.21Å; E169-T498 CarbonylContact O-C 3.56Å; E169-T498 WeakPolarHBondContact O-CA 3.17Å; C197-T498 HydrophobicContact CB-CG2 4.17Å; R276-T498 PolarHBondContact NH1-O 2.94Å; L494-T498 WeakPolarHBondContact O-CG2 3.44Å; L494-T498 PolarHBondContact O-N 3.13Å; L494-T498 VanDerWaalsContact O-N 3.16Å; L494-T498 PolarHBondContact O-OG1 2.85Å
499	E	98.9	Very high	96.6	Very high	86 Å²	86	67.5 Å²	67.5	40%	0.402	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	132	164.8	-96.2	-49.1	144.3	0	0	111.1	E169 I171 R276	E169-E499 PolarHBondContact N-O 3.16Å; E169-E499 PolarHBondContact O-N 3.34Å; I171-E499 HydrophobicContact CG1-CG 4.18Å; R276-E499 WeakPolarHBondContact CD-OE1 3.13Å; R276-E499 IonicContact CZ-OE1 3.98Å; R276-E499 IonicContact NE-OE1 3.55Å; R276-E499 IonicContact NH1-OE1 2.68Å; R276-E499 PolarHBondContact NH1-OE1 3.22Å
500	V	98.9	Very high	94.5	Very high	77 Å²	77	77 Å²	77	47%	0.467	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	123.9	-179.6	-177.9	0	0	0	0	109.1	T166	T166-V500 HydrophobicContact CG2-CG1 4.01Å
501	K	98.8	Very high	92.5	Very high	94 Å²	94	83.7 Å²	83.7	41%	0.409	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	118.6	172.7	-179.6	-176.1	-63	164.5	0	110.1	T166 R167 E169 V503	T166-K501 CarbonylContact C-O 3.56Å; T166-K501 VanDerWaalsContact CA-O 3.27Å; T166-K501 WeakPolarHBondContact CA-O 3.48Å; R167-K501 HydrophobicContact CB-CB 4.44Å; R167-K501 PolarHBondContact N-O 3.2Å; R167-K501 PolarHBondContact O-N 3.03Å; E169-K501 IonicContact OE1-NZ 2.83Å; E169-K501 PolarHBondContact OE1-NZ 2.88Å; E169-K501 WeakPolarHBondContact OE2-CE 3.12Å; E169-K501 IonicContact OE2-NZ 3.62Å; E169-K501 PolarHBondContact OE2-NZ 3.32Å; K501-V503 HydrophobicContact CG-CG2 4.44Å
502	T	98.9	Very high	90.4	Very high	84 Å²	84	86.7 Å²	86.7	52%	0.515	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	132.1	169.7	-55.1	0	0	0	0	110
503	V	98.8	Very high	90	Very high	40 Å²	40	82.9 Å²	82.9	24%	0.242	46%	0.464	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	121.2	173.1	-177.6	0	0	0	0	107.9	C164 F165 K501 I505	C164-V503 WeakPolarHBondContact CA-O 3.46Å; F165-V503 HydrophobicContact CD1-CB 4.23Å; F165-V503 HydrophobicContact CD2-CB 4.34Å; F165-V503 HydrophobicContact CE1-CB 3.78Å; F165-V503 HydrophobicContact CE1-CG1 3.68Å; F165-V503 HydrophobicContact CE2-CB 3.9Å; F165-V503 HydrophobicContact CE2-CG1 4.4Å; F165-V503 HydrophobicContact CE2-CG2 3.94Å; F165-V503 HydrophobicContact CG-CB 4.49Å; F165-V503 HydrophobicContact CZ-CB 3.61Å; F165-V503 HydrophobicContact CZ-CG1 3.62Å; F165-V503 HydrophobicContact CZ-CG2 3.98Å; F165-V503 PolarHBondContact N-O 3.14Å; F165-V503 PolarHBondContact O-N 3.42Å; K501-V503 HydrophobicContact CG-CG2 4.44Å; V503-I505 HydrophobicContact CG1-CD1 4.32Å; V503-I505 HydrophobicContact CG1-CG1 4.08Å
504	T	98.2	Very high	89.5	Confident	91 Å²	91	87.2 Å²	87.2	56%	0.558	49%	0.487	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.6	121.8	-178.9	-54.6	0	0	0	0	108.9	V162 V163	V162-T504 HydrophobicContact CG1-CG2 3.33Å; V163-T504 CarbonylContact O-C 3.56Å; V163-T504 WeakPolarHBondContact O-CA 3.43Å
505	I	97.9	Very high	89	Confident	80 Å²	80	91.3 Å²	91.3	41%	0.41	51%	0.511	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	117.4	-175.3	-50.6	174.1	0	0	0	107.7	V162 V163 F165 V503 L507	V162-I505 WeakPolarHBondContact CA-O 3.32Å; V163-I505 HydrophobicContact CB-CB 4.32Å; V163-I505 PolarHBondContact N-O 3.22Å; V163-I505 PolarHBondContact O-N 3.09Å; F165-I505 HydrophobicContact CE1-CD1 4.15Å; V503-I505 HydrophobicContact CG1-CD1 4.32Å; V503-I505 HydrophobicContact CG1-CG1 4.08Å; I505-L507 HydrophobicContact CG2-CD2 4.41Å
506	K	96	Very high	88.4	Confident	164 Å²	164	93.4 Å²	93.4	71%	0.713	51%	0.514	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.8	130.6	172.4	-171	170.7	-174.1	171.7	0	109.7
507	L	95	Very high	87.7	Confident	84 Å²	84	96.4 Å²	96.4	44%	0.44	53%	0.533	S	S	.	.			trans	-90.6	150.5	176.9	-55.3	-177.9	0	0	0	110.5	N161 V163 I505 D509	N161-L507 PolarHBondContact O-N 3.43Å; V163-L507 HydrophobicContact CG2-CD1 4.04Å; V163-L507 HydrophobicContact CG2-CD2 4.31Å; V163-L507 HydrophobicContact CG2-CG 4.33Å; I505-L507 HydrophobicContact CG2-CD2 4.41Å; L507-D509 VanDerWaalsContact C-N 3.31Å; L507-D509 PolarHBondContact O-N 3.05Å
508	G	88.8	Confident	87	Confident	78 Å²	78	102.6 Å²	102.6	80%	0.804	57%	0.567	S	S	*	*	S	Bend	trans	-75.1	-14.2	-173.4	0	0	0	0	0	115.2
509	D	70.6	Confident	86.1	Confident	130 Å²	130	109.4 Å²	109.4	70%	0.695	60%	0.604	S	S	*	*			trans	-85.6	126.1	-170.6	-73.1	-35.2	0	0	0	113.2	L507 N511	L507-D509 VanDerWaalsContact C-N 3.31Å; L507-D509 PolarHBondContact O-N 3.05Å; D509-N511 VanDerWaalsContact C-N 3.35Å; D509-N511 PolarHBondContact O-N 2.89Å
510	K	54.1	Low	85.2	Confident	200 Å²	200	111.2 Å²	111.2	87%	0.87	62%	0.62	S	S	*	*	S	Bend	trans	-89.9	69.5	162.8	-73.6	-178.3	175.9	179.6	0	108.7
511	N	57	Low	84	Confident	141 Å²	141	114 Å²	114	75%	0.754	63%	0.633	S	S	*	*			trans	155.1	138	152.1	-81.5	-15.9	0	0	0	110.1	D509	D509-N511 VanDerWaalsContact C-N 3.35Å; D509-N511 PolarHBondContact O-N 2.89Å
512	P	54.3	Low	82.7	Confident	182 Å²	182	115.8 Å²	115.8	100%	1.182	65%	0.653	S	S	*	*			trans	-68.7	0	-179.8	29.1	-34.7	0	0	0	114.3

Retrieved 512 of 512 residues in 475.1 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).