A0A087XX11_POEFO Loading...

Aldehyde dehydrogenase 1 family, member A3

AlphaFold DB , UniProt , Accession A0A087XX11, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 518 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	34.4	Very low	31.9	Very low	250 Å²	250	157.1 Å²	157.1	100%	1.232	86%	0.861	S	S	*	*				0	113.5	0	-80.8	178.3	177.4	0	0	107.8
2	A	30	Very low	32	Very low	93 Å²	93	151 Å²	151	77%	0.769	85%	0.847	S	S	*	*			trans	-75	144.2	174.4	0	0	0	0	0	110.4
3	H	28.4	Very low	32.3	Very low	179 Å²	179	151.4 Å²	151.4	83%	0.829	85%	0.846	S	S	*	*			trans	145.9	113.1	139.8	-92	-60.7	0	0	0	111.8
4	R	29.4	Very low	33.3	Very low	249 Å²	249	154.6 Å²	154.6	94%	0.94	85%	0.847	S	S	*	*			trans	173.9	95.2	134.7	-92.1	171.4	-161.2	-148.8	6.8	104
5	G	26.7	Very low	34.6	Very low	70 Å²	70	151.5 Å²	151.5	72%	0.722	83%	0.827	S	S	*	*				85.6	89.4	51	0	0	0	0	0	107.6
6	T	41	Very low	36.2	Very low	135 Å²	135	146.3 Å²	146.3	83%	0.828	80%	0.803	S	S	*	*			trans	-50.7	128.3	170.1	44.7	0	0	0	0	111.8
7	T	32	Very low	37.8	Very low	132 Å²	132	141.9 Å²	141.9	81%	0.81	79%	0.791	S	S	*	*				170.2	116.2	126.2	41.8	0	0	0	0	109
8	R	27.4	Very low	39.4	Very low	246 Å²	246	139.4 Å²	139.4	93%	0.928	79%	0.785	S	S	*	*			trans	-173.8	128.1	134.8	-103.2	174	-166.4	-165.8	3.4	107.3	G10	R8-G10 VanDerWaalsContact C-N 3.29Å; R8-G10 PolarHBondContact O-N 3.25Å
9	N	41.2	Very low	41.5	Very low	177 Å²	177	137.7 Å²	137.7	95%	0.947	77%	0.774	S	S	*	*			trans	-53.5	96.6	164.4	-67.5	-24.3	0	0	0	107.9
10	G	29.8	Very low	44	Very low	65 Å²	65	132.7 Å²	132.7	67%	0.67	74%	0.744	S	S	*	*			trans	-87.9	109.7	171	0	0	0	0	0	107.3	R8 A12	R8-G10 VanDerWaalsContact C-N 3.29Å; R8-G10 PolarHBondContact O-N 3.25Å; G10-A12 PolarHBondContact O-N 2.68Å
11	V	30.3	Very low	46.3	Very low	132 Å²	132	127.5 Å²	127.5	80%	0.8	72%	0.716	S	S	*	*			trans	-47.8	116.9	143.1	176.7	0	0	0	0	104.2	D13	V11-D13 PolarHBondContact O-N 3.12Å
12	A	33.5	Very low	49.2	Very low	84 Å²	84	120 Å²	120	69%	0.694	68%	0.678	S	S	*	*			trans	-53.2	113.7	176	0	0	0	0	0	106.3	G10 K14	G10-A12 PolarHBondContact O-N 2.68Å; A12-K14 PolarHBondContact O-N 3.44Å
13	D	35.8	Very low	52.4	Low	156 Å²	156	117.4 Å²	117.4	83%	0.834	65%	0.654	S	S	*	*			trans	-52.7	114.5	173.4	-79.6	-36.1	0	0	0	105.6	V11 I15	V11-D13 PolarHBondContact O-N 3.12Å; D13-I15 PolarHBondContact O-N 3.31Å
14	K	46.2	Very low	55.6	Low	197 Å²	197	111.3 Å²	111.3	86%	0.857	63%	0.629	S	S	*	*			trans	-59.4	110.7	179.4	-76	-176	176.9	-177.5	0	106	A12 P16	A12-K14 PolarHBondContact O-N 3.44Å; K14-P16 WeakPolarHBondContact O-CD 3.19Å; K14-P16 VanDerWaalsContact O-N 3.09Å
15	I	53	Low	58.6	Low	107 Å²	107	108.5 Å²	108.5	55%	0.549	62%	0.624	S	S	.	*			trans	-50.6	120.7	170.6	-62.1	174.1	0	0	0	105.9	D13 A17 D19 L20	D13-I15 PolarHBondContact O-N 3.31Å; I15-A17 PolarHBondContact O-N 3.18Å; I15-D19 HydrophobicContact CG2-CB 3.68Å; I15-L20 HydrophobicContact CB-CD2 4.44Å; I15-L20 HydrophobicContact CG2-CD2 4.12Å; I15-L20 HydrophobicContact CG2-CG 4.41Å
16	P	60.8	Low	61.7	Low	69 Å²	69	107.2 Å²	107.2	45%	0.448	60%	0.6	S	S	.	*			trans	-51.4	139.9	177.3	-25.8	33.7	0	0	0	109.6	K14 S18 D19	K14-P16 WeakPolarHBondContact O-CD 3.19Å; K14-P16 VanDerWaalsContact O-N 3.09Å; P16-S18 PolarHBondContact O-N 3.3Å; P16-D19 PolarHBondContact O-N 3.31Å
17	A	62.6	Low	63.8	Low	72 Å²	72	109.7 Å²	109.7	60%	0.595	60%	0.602	S	S	*	*	G	3₁₀ helix	trans	-56.5	-24.3	-178.3	0	0	0	0	0	112.9	I15 D19	I15-A17 PolarHBondContact O-N 3.18Å; A17-D19 VanDerWaalsContact C-N 3.25Å; A17-D19 PolarHBondContact O-N 3.49Å
18	S	66.4	Low	66.6	Low	97 Å²	97	110.8 Å²	110.8	68%	0.678	60%	0.598	S	S	*	*	G	3₁₀ helix	trans	-64.7	-23.5	173.4	55.8	0	0	0	0	114.6	P16	P16-S18 PolarHBondContact O-N 3.3Å
19	D	80.5	Confident	69.8	Low	107 Å²	107	100.1 Å²	100.1	57%	0.572	56%	0.56	S	S	*	*	G	3₁₀ helix	trans	-100.5	-6.8	-172.1	-59.4	-4	0	0	0	111.7	I15 P16 A17	I15-D19 HydrophobicContact CG2-CB 3.68Å; P16-D19 PolarHBondContact O-N 3.31Å; A17-D19 VanDerWaalsContact C-N 3.25Å; A17-D19 PolarHBondContact O-N 3.49Å
20	L	90.1	Very high	72.4	Confident	36 Å²	36	101.5 Å²	101.5	19%	0.188	55%	0.552	C	S	.	*	S	Bend	trans	-71.3	141.3	173	-67.6	174.5	0	0	0	110.5	I15 Q22 L127 F131	I15-L20 HydrophobicContact CB-CD2 4.44Å; I15-L20 HydrophobicContact CG2-CD2 4.12Å; I15-L20 HydrophobicContact CG2-CG 4.41Å; L20-Q22 PolarHBondContact O-N 3.13Å; L20-Q22 PolarHBondContact O-NE2 2.85Å; L20-L127 HydrophobicContact CB-CD2 4.4Å; L20-L127 HydrophobicContact CD1-CD1 3.99Å; L20-F131 HydrophobicContact CD2-CE2 4.28Å
21	P	93.6	Very high	75.7	Confident	24 Å²	24	101.3 Å²	101.3	16%	0.156	53%	0.531	C	S	.	.			trans	-57.1	141.2	172.5	26.7	-34	0	0	0	109.1	F126 L127 F130 F131	P21-F126 HydrophobicContact CB-CE1 4.12Å; P21-F126 HydrophobicContact CB-CZ 4.39Å; P21-F126 HydrophobicContact CG-CE1 4.19Å; P21-F126 VanDerWaalsContact O-CE1 3.27Å; P21-F126 WeakPolarHBondContact O-CE1 3.4Å; P21-L127 HydrophobicContact CG-CD2 4.12Å; P21-F130 HydrophobicContact CB-CD1 4.29Å; P21-F130 HydrophobicContact CB-CD2 4.24Å; P21-F130 HydrophobicContact CB-CE1 4.12Å; P21-F130 HydrophobicContact CB-CE2 4.06Å; P21-F130 HydrophobicContact CB-CG 4.36Å; P21-F130 HydrophobicContact CB-CZ 3.99Å; P21-F130 HydrophobicContact CG-CD1 3.62Å; P21-F130 HydrophobicContact CG-CD2 4.31Å; P21-F130 HydrophobicContact CG-CE1 3.74Å; P21-F130 HydrophobicContact CG-CE2 4.41Å; P21-F130 HydrophobicContact CG-CG 3.92Å; P21-F130 HydrophobicContact CG-CZ 4.14Å; P21-F131 HydrophobicContact CG-CE2 3.94Å; P21-F131 HydrophobicContact CG-CZ 3.74Å
22	Q	94.6	Very high	78.9	Confident	92 Å²	92	96.6 Å²	96.6	43%	0.43	50%	0.503	S	S	.	.			trans	-106.1	143.9	178.5	-60.8	-59.4	-46	0	0	109.9	L20	L20-Q22 PolarHBondContact O-N 3.13Å; L20-Q22 PolarHBondContact O-NE2 2.85Å
23	P	96.1	Very high	82	Confident	40 Å²	40	96.4 Å²	96.4	26%	0.26	49%	0.487	S	S	.	.			trans	-61.3	149	173.2	26.6	-33.6	0	0	0	110.6	T116 F126 L354	P23-T116 WeakPolarHBondContact CA-OG1 3.43Å; P23-T116 HydrophobicContact CB-CG2 4.27Å; P23-F126 HydrophobicContact CB-CD2 3.94Å; P23-F126 HydrophobicContact CB-CE2 4.07Å; P23-F126 HydrophobicContact CB-CG 4.17Å; P23-F126 HydrophobicContact CB-CZ 4.46Å; P23-L354 HydrophobicContact CB-CD2 3.77Å; P23-L354 HydrophobicContact CG-CB 4.28Å; P23-L354 HydrophobicContact CG-CD2 4.28Å
24	V	96	Very high	85	Confident	50 Å²	50	89 Å²	89	30%	0.303	45%	0.447	S	S	.	.			trans	-92.8	145.6	178.2	-63.2	0	0	0	0	110.6	I26 K112 L113 T116	V24-I26 HydrophobicContact CG2-CG1 4.27Å; V24-I26 PolarHBondContact O-N 3.29Å; V24-K112 HydrophobicContact CG1-CB 4.1Å; V24-L113 HydrophobicContact CG2-CB 4.24Å; V24-L113 HydrophobicContact CG2-CD1 3.88Å; V24-T116 HydrophobicContact CG2-CG2 4.43Å; V24-T116 PolarHBondContact N-OG1 3.09Å; V24-T116 WeakPolarHBondContact O-CG2 3.13Å
25	K	92.4	Very high	87.5	Confident	191 Å²	191	79.6 Å²	79.6	83%	0.83	41%	0.406	S	S	*	.			trans	-73.1	114.8	173.2	-171.4	172.7	-177.4	174.1	0	110
26	I	91.4	Very high	89.7	Confident	42 Å²	42	75 Å²	75	22%	0.215	38%	0.382	C	S	.	.			trans	-91.7	104.9	175.7	-57.4	-172.3	0	0	0	108.5	V24 V29 L113 T116 L117 L120	V24-I26 HydrophobicContact CG2-CG1 4.27Å; V24-I26 PolarHBondContact O-N 3.29Å; I26-V29 HydrophobicContact CG2-CG2 4.34Å; I26-L113 HydrophobicContact CD1-CD1 3.9Å; I26-L113 HydrophobicContact CG1-CD1 4.1Å; I26-T116 HydrophobicContact CD1-CG2 3.79Å; I26-T116 HydrophobicContact CG1-CG2 4.08Å; I26-L117 HydrophobicContact CD1-CD2 3.46Å; I26-L117 VanDerWaalsContact CD1-CD2 3.46Å; I26-L117 HydrophobicContact CD1-CG 3.59Å; I26-L120 HydrophobicContact CB-CD1 4.49Å; I26-L120 HydrophobicContact CD1-CD1 3.89Å; I26-L120 HydrophobicContact CG1-CD1 4.47Å
27	Q	85.7	Confident	91.5	Very high	187 Å²	187	74.6 Å²	74.6	87%	0.874	38%	0.377	S	S	*	.	S	Bend	trans	-74.5	-36	176.6	-68.3	-177.1	-7.8	0	0	112.2
28	Q	90.6	Very high	93.2	Very high	156 Å²	156	71.7 Å²	71.7	73%	0.729	35%	0.351	S	S	*	.			trans	-155.3	136.9	-179.9	-172.9	-178.5	10.3	0	0	110	R30	Q28-R30 PolarHBondContact O-N 3.42Å
29	V	95.7	Very high	94.7	Very high	22 Å²	22	72.3 Å²	72.3	13%	0.133	34%	0.343	C	S	.	.			trans	-76.2	120.5	169.4	-178.4	0	0	0	0	109.4	I26 T32 I60 C61 L117 L211	I26-V29 HydrophobicContact CG2-CG2 4.34Å; V29-T32 HydrophobicContact CG1-CG2 4.06Å; V29-I60 HydrophobicContact CG2-CG2 3.82Å; V29-C61 HydrophobicContact CB-CB 4.44Å; V29-L117 HydrophobicContact CG2-CD2 4.29Å; V29-L211 HydrophobicContact CG1-CD1 4.28Å; V29-L211 HydrophobicContact CG1-CD2 3.92Å; V29-L211 HydrophobicContact CG2-CD1 4.18Å
30	R	95.5	Very high	95.6	Very high	205 Å²	205	70.2 Å²	70.2	77%	0.774	33%	0.327	S	S	*	.			trans	-86.1	-29.5	-169.9	-65.4	-176.8	-179.7	-179.6	0.3	114.5	Q28	Q28-R30 PolarHBondContact O-N 3.42Å
31	Y	98.3	Very high	96	Very high	61 Å²	61	71.5 Å²	71.5	24%	0.239	33%	0.332	C	S	.	.			trans	-118	102.4	-169.9	-52	-63.8	0	0	0	109.6	W40 L214 H215 S218	Y31-W40 AromaticContact CD1-CE2 3.84Å; Y31-W40 HydrophobicContact CD1-CH2 4.23Å; Y31-W40 AromaticContact CD1-CZ2 3.5Å; Y31-W40 HydrophobicContact CD1-CZ2 3.5Å; Y31-W40 VanDerWaalsContact CD1-CZ2 3.5Å; Y31-W40 HydrophobicContact CE1-CZ2 4.2Å; Y31-W40 HydrophobicContact CG-CH2 4.3Å; Y31-W40 AromaticContact CG-CZ2 3.97Å; Y31-W40 HydrophobicContact CG-CZ2 3.97Å; Y31-L214 WeakPolarHBondContact O-CD1 3.16Å; Y31-H215 HydrophobicContact CD2-CB 4.3Å; Y31-H215 AromaticContact CD2-ND1 3.57Å; Y31-H215 AromaticContact CE2-CE1 3.85Å; Y31-H215 AromaticContact CE2-ND1 3.45Å; Y31-H215 WeakPolarHBondContact CE2-ND1 2.93Å; Y31-S218 VanDerWaalsContact CE1-CB 3.47Å; Y31-S218 WeakPolarHBondContact CE2-OG 3.5Å; Y31-S218 WeakPolarHBondContact OH-CB 3.41Å; Y31-S218 PolarHBondContact OH-OG 3.05Å
32	T	98.5	Very high	96.2	Very high	33 Å²	33	75.2 Å²	75.2	20%	0.202	35%	0.349	C	S	.	.			trans	-131.8	11.9	-173.7	59.1	0	0	0	0	112.7	V29 C61 E62 V63 Q64	V29-T32 HydrophobicContact CG1-CG2 4.06Å; T32-C61 HydrophobicContact CG2-CB 4.44Å; T32-E62 WeakPolarHBondContact CB-O 3.46Å; T32-V63 WeakPolarHBondContact O-CA 3.46Å; T32-Q64 WeakPolarHBondContact O-CG 3.48Å; T32-Q64 PolarHBondContact O-N 2.9Å
33	K	98.9	Very high	96.4	Very high	81 Å²	81	71.1 Å²	71.1	35%	0.352	33%	0.33	S	S	.	.	S	Bend	trans	-110.7	163.9	-172.4	-72.2	-170.3	-177.7	-166.6	0	111.8	W40 H41 M42 Q64 L214	K33-W40 HydrophobicContact CB-CB 4.02Å; K33-W40 HydrophobicContact CB-CD2 4.44Å; K33-W40 HydrophobicContact CB-CE3 3.82Å; K33-W40 HydrophobicContact CD-CB 4.05Å; K33-W40 VanDerWaalsContact O-CZ3 3.23Å; K33-W40 WeakPolarHBondContact O-CZ3 3.43Å; K33-H41 WeakPolarHBondContact CB-O 3.48Å; K33-M42 HydrophobicContact CD-SD 4.06Å; K33-M42 WeakPolarHBondContact CE-SD 3.48Å; K33-M42 HydrophobicContact CG-SD 4.43Å; K33-Q64 HydrophobicContact CB-CG 4.27Å; K33-Q64 HydrophobicContact CG-CG 4.03Å; K33-L214 VanDerWaalsContact O-CD2 3.31Å; K33-L214 WeakPolarHBondContact O-CD2 3.47Å
34	I	98.9	Very high	96.5	Very high	0 Å²	0	71.2 Å²	71.2	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	137	171.3	-70.7	160.4	0	0	0	109.1	I36 W40 H41 Q64 A66 D70 I240 P241	I34-I36 HydrophobicContact CG2-CD1 3.53Å; I34-I36 HydrophobicContact CG2-CG1 3.72Å; I34-W40 CarbonylContact O-C 3.5Å; I34-W40 WeakPolarHBondContact O-CA 3.26Å; I34-H41 HydrophobicContact CB-CB 4.26Å; I34-H41 HydrophobicContact CG2-CB 4.43Å; I34-H41 PolarHBondContact N-O 3.11Å; I34-H41 PolarHBondContact O-N 2.96Å; I34-Q64 HydrophobicContact CD1-CB 4.22Å; I34-Q64 HydrophobicContact CG1-CB 4.05Å; I34-A66 HydrophobicContact CD1-CB 3.74Å; I34-A66 HydrophobicContact CG1-CB 4.06Å; I34-D70 HydrophobicContact CD1-CB 4.03Å; I34-I240 HydrophobicContact CG2-CD1 3.76Å; I34-P241 HydrophobicContact CG1-CG 4.28Å
35	F	98.9	Very high	96.6	Very high	0 Å²	0	71.6 Å²	71.6	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	107.5	179.2	-174.1	-102.6	0	0	0	110.5	N38 E39 W40 G217 I220 K221 V237 N238 I239	F35-N38 VanDerWaalsContact CZ-CA 3.47Å; F35-N38 HydrophobicContact CZ-CB 4.15Å; F35-N38 WeakPolarHBondContact CZ-OD1 3.43Å; F35-E39 WeakPolarHBondContact CA-O 3.44Å; F35-W40 HydrophobicContact CB-CE3 4.07Å; F35-W40 HydrophobicContact CB-CH2 4.2Å; F35-W40 HydrophobicContact CB-CZ3 3.68Å; F35-W40 HydrophobicContact CD2-CD2 4.12Å; F35-W40 HydrophobicContact CD2-CE3 4.05Å; F35-W40 AromaticContact CD2-CH2 3.83Å; F35-W40 HydrophobicContact CD2-CH2 3.83Å; F35-W40 AromaticContact CD2-CZ2 3.92Å; F35-W40 HydrophobicContact CD2-CZ2 3.92Å; F35-W40 AromaticContact CD2-CZ3 3.92Å; F35-W40 HydrophobicContact CD2-CZ3 3.92Å; F35-W40 HydrophobicContact CE2-CZ2 4.39Å; F35-W40 HydrophobicContact CG-CH2 4.36Å; F35-W40 HydrophobicContact CG-CZ3 4.24Å; F35-G217 VanDerWaalsContact CE2-O 3.23Å; F35-G217 WeakPolarHBondContact CE2-O 3.33Å; F35-G217 WeakPolarHBondContact CZ-O 3.38Å; F35-I220 HydrophobicContact CE1-CG2 4.32Å; F35-I220 HydrophobicContact CZ-CG2 4.28Å; F35-K221 HydrophobicContact CE2-CB 4.06Å; F35-K221 HydrophobicContact CZ-CB 4.23Å; F35-V237 WeakPolarHBondContact CE1-O 3.2Å; F35-N238 CarbonylContact O-C 3.45Å; F35-N238 WeakPolarHBondContact O-CA 3.49Å; F35-I239 HydrophobicContact CB-CB 3.98Å; F35-I239 HydrophobicContact CB-CG1 4.31Å; F35-I239 HydrophobicContact CD1-CD1 4.47Å; F35-I239 HydrophobicContact CD1-CG1 4.15Å; F35-I239 PolarHBondContact N-O 2.97Å; F35-I239 PolarHBondContact O-N 2.89Å
36	I	98.9	Very high	96.8	Very high	10 Å²	10	64.9 Å²	64.9	5%	0.051	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	136.2	178.4	-64.8	166.4	0	0	0	108.2	I34 N38 E39 H41 K73 A74 A77 N238 I240	I34-I36 HydrophobicContact CG2-CD1 3.53Å; I34-I36 HydrophobicContact CG2-CG1 3.72Å; I36-N38 PolarHBondContact O-N 3.25Å; I36-E39 PolarHBondContact N-O 2.94Å; I36-E39 WeakPolarHBondContact O-CA 3.49Å; I36-E39 WeakPolarHBondContact O-CB 3.31Å; I36-E39 PolarHBondContact O-N 2.72Å; I36-H41 PolarHBondContact O-NE2 2.89Å; I36-H41 VanDerWaalsContact O-NE2 3.14Å; I36-K73 HydrophobicContact CD1-CB 4.1Å; I36-A74 HydrophobicContact CD1-CB 3.98Å; I36-A74 HydrophobicContact CG1-CB 3.97Å; I36-A77 HydrophobicContact CG2-CB 3.61Å; I36-N238 HydrophobicContact CG1-CB 4.4Å; I36-I240 HydrophobicContact CD1-CD1 3.89Å; I36-I240 HydrophobicContact CG1-CD1 3.69Å
37	N	98.1	Very high	97.2	Very high	61 Å²	61	68.3 Å²	68.3	33%	0.326	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.1	34.5	179.1	-85	-28.5	0	0	0	114.7	E39 A77 P234 G235 N238	N37-E39 PolarHBondContact O-N 3.47Å; N37-A77 WeakPolarHBondContact ND2-CB 3.25Å; N37-A77 WeakPolarHBondContact OD1-CB 3.42Å; N37-P234 HydrophobicContact CB-CB 4.24Å; N37-G235 WeakPolarHBondContact OD1-CA 3.3Å; N37-G235 PolarHBondContact OD1-N 3.36Å; N37-G235 VanDerWaalsContact OD1-N 3.15Å; N37-N238 PolarHBondContact N-OD1 3.3Å
38	N	98	Very high	97.8	Very high	10 Å²	10	62.2 Å²	62.2	5%	0.053	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.6	22.2	-173.5	-61.5	-12.7	0	0	0	114.4	F35 I36 K221 F232	F35-N38 VanDerWaalsContact CZ-CA 3.47Å; F35-N38 HydrophobicContact CZ-CB 4.15Å; F35-N38 WeakPolarHBondContact CZ-OD1 3.43Å; I36-N38 PolarHBondContact O-N 3.25Å; N38-K221 WeakPolarHBondContact O-CD 3.46Å; N38-K221 WeakPolarHBondContact O-CE 3.45Å; N38-K221 PolarHBondContact O-NZ 3.41Å; N38-F232 PolarHBondContact ND2-O 3.47Å
39	E	98.2	Very high	98.2	Very high	111 Å²	111	55 Å²	55	52%	0.519	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	155.5	179.9	-67.4	179.1	173.1	0	0	111.2	F35 I36 N37 H41	F35-E39 WeakPolarHBondContact CA-O 3.44Å; I36-E39 PolarHBondContact N-O 2.94Å; I36-E39 WeakPolarHBondContact O-CA 3.49Å; I36-E39 WeakPolarHBondContact O-CB 3.31Å; I36-E39 PolarHBondContact O-N 2.72Å; N37-E39 PolarHBondContact O-N 3.47Å; E39-H41 WeakPolarHBondContact CB-NE2 3.46Å; E39-H41 PolarHBondContact O-CD2 2.75Å; E39-H41 VanDerWaalsContact O-CD2 3.29Å; E39-H41 IonicContact OE2-CE1 2.97Å; E39-H41 IonicContact OE2-NE2 3.7Å
40	W	98.7	Very high	98.3	Very high	63 Å²	63	56.4 Å²	56.4	24%	0.239	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	117.6	-176.9	-68.1	118.2	0	0	0	109.8	Y31 K33 I34 F35 L214	Y31-W40 AromaticContact CD1-CE2 3.84Å; Y31-W40 HydrophobicContact CD1-CH2 4.23Å; Y31-W40 AromaticContact CD1-CZ2 3.5Å; Y31-W40 HydrophobicContact CD1-CZ2 3.5Å; Y31-W40 VanDerWaalsContact CD1-CZ2 3.5Å; Y31-W40 HydrophobicContact CE1-CZ2 4.2Å; Y31-W40 HydrophobicContact CG-CH2 4.3Å; Y31-W40 AromaticContact CG-CZ2 3.97Å; Y31-W40 HydrophobicContact CG-CZ2 3.97Å; K33-W40 HydrophobicContact CB-CB 4.02Å; K33-W40 HydrophobicContact CB-CD2 4.44Å; K33-W40 HydrophobicContact CB-CE3 3.82Å; K33-W40 HydrophobicContact CD-CB 4.05Å; K33-W40 VanDerWaalsContact O-CZ3 3.23Å; K33-W40 WeakPolarHBondContact O-CZ3 3.43Å; I34-W40 CarbonylContact O-C 3.5Å; I34-W40 WeakPolarHBondContact O-CA 3.26Å; F35-W40 HydrophobicContact CB-CE3 4.07Å; F35-W40 HydrophobicContact CB-CH2 4.2Å; F35-W40 HydrophobicContact CB-CZ3 3.68Å; F35-W40 HydrophobicContact CD2-CD2 4.12Å; F35-W40 HydrophobicContact CD2-CE3 4.05Å; F35-W40 AromaticContact CD2-CH2 3.83Å; F35-W40 HydrophobicContact CD2-CH2 3.83Å; F35-W40 AromaticContact CD2-CZ2 3.92Å; F35-W40 HydrophobicContact CD2-CZ2 3.92Å; F35-W40 AromaticContact CD2-CZ3 3.92Å; F35-W40 HydrophobicContact CD2-CZ3 3.92Å; F35-W40 HydrophobicContact CE2-CZ2 4.39Å; F35-W40 HydrophobicContact CG-CH2 4.36Å; F35-W40 HydrophobicContact CG-CZ3 4.24Å; W40-L214 HydrophobicContact CH2-CB 4.39Å; W40-L214 VanDerWaalsContact CH2-O 3.26Å; W40-L214 WeakPolarHBondContact CH2-O 3.29Å; W40-L214 HydrophobicContact CZ3-CD2 4.18Å
41	H	98.8	Very high	98.4	Very high	63 Å²	63	46.7 Å²	46.7	29%	0.292	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	148.6	-172.6	-60.3	-86.4	0	0	0	111.5	K33 I34 I36 E39	K33-H41 WeakPolarHBondContact CB-O 3.48Å; I34-H41 HydrophobicContact CB-CB 4.26Å; I34-H41 HydrophobicContact CG2-CB 4.43Å; I34-H41 PolarHBondContact N-O 3.11Å; I34-H41 PolarHBondContact O-N 2.96Å; I36-H41 PolarHBondContact O-NE2 2.89Å; I36-H41 VanDerWaalsContact O-NE2 3.14Å; E39-H41 WeakPolarHBondContact CB-NE2 3.46Å; E39-H41 PolarHBondContact O-CD2 2.75Å; E39-H41 VanDerWaalsContact O-CD2 3.29Å; E39-H41 IonicContact OE2-CE1 2.97Å; E39-H41 IonicContact OE2-NE2 3.7Å
42	M	98.7	Very high	98.4	Very high	101 Å²	101	50 Å²	50	50%	0.498	26%	0.261	S	S	.	.			trans	-76.2	154	162.6	-57.1	-61.1	-71.7	0	0	108.5	K33 Q64	K33-M42 HydrophobicContact CD-SD 4.06Å; K33-M42 WeakPolarHBondContact CE-SD 3.48Å; K33-M42 HydrophobicContact CG-SD 4.43Å; M42-Q64 HydrophobicContact SD-CG 4.45Å
43	S	98.4	Very high	98.4	Very high	6 Å²	6	49.4 Å²	49.4	4%	0.042	26%	0.257	C	S	.	.			trans	-61.3	147	171.6	60.1	0	0	0	0	110.3	S45 G46 R47 Q64 E65	S43-S45 PolarHBondContact O-N 2.63Å; S43-S45 PolarHBondContact OG-OG 3.06Å; S43-G46 PolarHBondContact O-N 3.21Å; S43-G46 WeakPolarHBondContact OG-CA 3.28Å; S43-G46 PolarHBondContact OG-N 3.14Å; S43-G46 VanDerWaalsContact OG-N 3.13Å; S43-R47 PolarHBondContact OG-N 3Å; S43-R47 VanDerWaalsContact OG-N 3.09Å; S43-R47 PolarHBondContact OG-O 3.42Å; S43-Q64 PolarHBondContact OG-OE1 3.42Å; S43-E65 WeakPolarHBondContact CB-O 3.09Å
44	A	98.1	Very high	98.3	Very high	42 Å²	42	45.9 Å²	45.9	35%	0.347	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-35.4	175.8	0	0	0	0	0	112.1	G46 E69 D70	A44-G46 VanDerWaalsContact C-N 3.32Å; A44-E69 HydrophobicContact CB-CB 4.01Å; A44-E69 VanDerWaalsContact CB-CD 3.42Å; A44-E69 HydrophobicContact CB-CG 4.1Å; A44-E69 WeakPolarHBondContact CB-OE1 3.48Å; A44-E69 WeakPolarHBondContact CB-OE2 3.31Å; A44-D70 WeakPolarHBondContact CB-OD1 3.31Å; A44-D70 PolarHBondContact N-OD1 2.66Å; A44-D70 PolarHBondContact N-OD2 3.14Å
45	S	97.6	Very high	98.2	Very high	59 Å²	59	47.1 Å²	47.1	41%	0.413	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-16.3	177.1	67.7	0	0	0	0	114	S43 R47	S43-S45 PolarHBondContact O-N 2.63Å; S43-S45 PolarHBondContact OG-OG 3.06Å; S45-R47 PolarHBondContact O-N 3.47Å; S45-R47 WeakPolarHBondContact OG-CB 3.43Å; S45-R47 PolarHBondContact OG-N 3.01Å
46	G	98.1	Very high	98	Very high	50 Å²	50	51 Å²	51	52%	0.515	28%	0.277	S	S	.	.			trans	71.7	-0.4	-169.5	0	0	0	0	0	114.7	S43 A44	S43-G46 PolarHBondContact O-N 3.21Å; S43-G46 WeakPolarHBondContact OG-CA 3.28Å; S43-G46 PolarHBondContact OG-N 3.14Å; S43-G46 VanDerWaalsContact OG-N 3.13Å; A44-G46 VanDerWaalsContact C-N 3.32Å
47	R	98.6	Very high	97.8	Very high	114 Å²	114	52.5 Å²	52.5	43%	0.43	29%	0.294	S	S	.	.			trans	-74.2	154.1	179.6	-64.4	-170.8	-60	-164.3	1.1	112.5	S43 S45 E65 D67	S43-R47 PolarHBondContact OG-N 3Å; S43-R47 VanDerWaalsContact OG-N 3.09Å; S43-R47 PolarHBondContact OG-O 3.42Å; S45-R47 PolarHBondContact O-N 3.47Å; S45-R47 WeakPolarHBondContact OG-CB 3.43Å; S45-R47 PolarHBondContact OG-N 3.01Å; R47-E65 HydrophobicContact CB-CB 4.06Å; R47-E65 IonicContact CZ-OE1 3.99Å; R47-E65 IonicContact NE-OE1 2.74Å; R47-E65 PolarHBondContact NE-OE1 3.45Å; R47-E65 IonicContact NE-OE2 3.11Å; R47-E65 IonicContact NH1-OE1 3.81Å; R47-E65 IonicContact NH2-OE1 3.38Å; R47-E65 PolarHBondContact NH2-OE1 2.99Å; R47-E65 PolarHBondContact O-N 3.08Å; R47-D67 IonicContact NH2-OD2 3.95Å; R47-D67 PolarHBondContact NH2-OD2 2.74Å; R47-D67 VanDerWaalsContact NH2-OD2 3.11Å
48	T	98.8	Very high	97.6	Very high	58 Å²	58	54.6 Å²	54.6	36%	0.356	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	161.7	169.8	64.4	0	0	0	0	110.6	E62 V63 Q64	T48-E62 WeakPolarHBondContact CB-OE2 3.43Å; T48-E62 PolarHBondContact OG1-OE2 2.94Å; T48-V63 CarbonylContact C-O 3.52Å; T48-V63 WeakPolarHBondContact CA-O 3.41Å; T48-V63 VanDerWaalsContact CB-O 3.22Å; T48-V63 WeakPolarHBondContact CB-O 3.46Å; T48-Q64 VanDerWaalsContact CG2-NE2 3.29Å
49	F	98.7	Very high	97.6	Very high	5 Å²	5	57.1 Å²	57.1	2%	0.022	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	148.2	169.6	67.1	-86.8	0	0	0	111.1	V63 Q64 E65 E207 P210 P241 F243	F49-V63 HydrophobicContact CE1-CB 4.1Å; F49-V63 HydrophobicContact CE1-CG1 4.07Å; F49-V63 HydrophobicContact CE2-CB 4.29Å; F49-V63 HydrophobicContact CZ-CB 3.94Å; F49-V63 HydrophobicContact CZ-CG1 3.96Å; F49-V63 PolarHBondContact N-O 3.12Å; F49-V63 PolarHBondContact O-N 3.07Å; F49-Q64 WeakPolarHBondContact CE1-O 3.42Å; F49-E65 HydrophobicContact CD1-CB 3.81Å; F49-E65 HydrophobicContact CD1-CG 3.98Å; F49-E207 HydrophobicContact CE2-CB 4.15Å; F49-E207 VanDerWaalsContact CE2-O 3.28Å; F49-E207 WeakPolarHBondContact CE2-O 3.28Å; F49-P210 HydrophobicContact CE2-CG 4.22Å; F49-P210 HydrophobicContact CZ-CG 4.29Å; F49-P241 HydrophobicContact CE1-CB 4.31Å; F49-P241 HydrophobicContact CZ-CB 4.17Å; F49-F243 HydrophobicContact CB-CE2 3.85Å; F49-F243 HydrophobicContact CB-CZ 3.81Å; F49-F243 HydrophobicContact CD1-CE2 4.4Å; F49-F243 HydrophobicContact CD2-CZ 4.43Å; F49-F243 HydrophobicContact CG-CE2 4.12Å; F49-F243 HydrophobicContact CG-CZ 4.12Å
50	P	98.4	Very high	97.6	Very high	51 Å²	51	54 Å²	54	33%	0.331	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	136.9	176.9	29.5	-33.3	0	0	0	110.8	T59 E62	P50-T59 HydrophobicContact CB-CG2 3.82Å; P50-E62 WeakPolarHBondContact CB-OE1 3.34Å
51	T	97.8	Very high	97.6	Very high	2 Å²	2	52.1 Å²	52.1	1%	0.012	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	144.7	155.3	-178.2	0	0	0	0	110	I60 C61 V63 D121 Q208 P210 L211	T51-I60 HydrophobicContact CG2-CB 4.25Å; T51-I60 PolarHBondContact O-N 3.27Å; T51-C61 PolarHBondContact N-O 2.85Å; T51-V63 HydrophobicContact CG2-CG2 4.29Å; T51-D121 PolarHBondContact OG1-OD1 3.14Å; T51-Q208 PolarHBondContact OG1-O 2.95Å; T51-P210 HydrophobicContact CG2-CG 4.44Å; T51-L211 HydrophobicContact CG2-CD1 3.92Å; T51-L211 HydrophobicContact CG2-CD2 3.88Å; T51-L211 HydrophobicContact CG2-CG 3.94Å
52	R	97.8	Very high	97.5	Very high	129 Å²	129	53.2 Å²	53.2	49%	0.487	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	145.5	-168.8	-63.9	-177.6	178.1	-77.4	-7.1	111.1	P54 G57 D58 T59	R52-P54 VanDerWaalsContact O-CD 3.29Å; R52-P54 WeakPolarHBondContact O-CD 3.33Å; R52-G57 PolarHBondContact NH1-O 3.22Å; R52-D58 CarbonylContact C-O 3.59Å; R52-D58 VanDerWaalsContact CA-O 3.28Å; R52-D58 WeakPolarHBondContact CA-O 3.37Å; R52-T59 PolarHBondContact NH1-OG1 3.14Å
53	N	97.8	Very high	97.5	Very high	22 Å²	22	48.4 Å²	48.4	12%	0.118	29%	0.285	C	S	.	.			trans	-80.9	113.3	171	-178.4	-19.3	0	0	0	108.9	A55 T56 G57 D58 I60 L120	N53-A55 PolarHBondContact O-N 3.41Å; N53-A55 VanDerWaalsContact OD1-CB 3.3Å; N53-A55 WeakPolarHBondContact OD1-CB 3.33Å; N53-A55 PolarHBondContact OD1-N 3.22Å; N53-T56 PolarHBondContact O-N 3.36Å; N53-G57 WeakPolarHBondContact O-CA 3.38Å; N53-G57 PolarHBondContact O-N 3.17Å; N53-D58 PolarHBondContact N-O 2.9Å; N53-I60 HydrophobicContact CB-CD1 4.11Å; N53-I60 HydrophobicContact CB-CG1 3.87Å; N53-L120 WeakPolarHBondContact CA-O 3.34Å; N53-L120 PolarHBondContact OD1-O 2.95Å
54	P	97.8	Very high	97.6	Very high	6 Å²	6	48.6 Å²	48.6	4%	0.039	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-19	-178.2	24.4	-32.7	0	0	0	114.1	R52 L120 T122 P362 Q363 I364 L398	R52-P54 VanDerWaalsContact O-CD 3.29Å; R52-P54 WeakPolarHBondContact O-CD 3.33Å; P54-L120 WeakPolarHBondContact CD-O 3.43Å; P54-T122 VanDerWaalsContact CG-C 3.44Å; P54-P362 HydrophobicContact CB-CB 4.28Å; P54-P362 HydrophobicContact CB-CG 3.8Å; P54-P362 HydrophobicContact CG-CG 3.98Å; P54-Q363 VanDerWaalsContact CB-O 3.24Å; P54-Q363 WeakPolarHBondContact CB-O 3.36Å; P54-I364 WeakPolarHBondContact CB-O 3.23Å; P54-L398 HydrophobicContact CB-CD1 4.04Å
55	A	96.6	Very high	97.6	Very high	26 Å²	26	47.6 Å²	47.6	22%	0.215	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-29.4	179.7	0	0	0	0	0	112.3	N53 P353 P362 F399	N53-A55 PolarHBondContact O-N 3.41Å; N53-A55 VanDerWaalsContact OD1-CB 3.3Å; N53-A55 WeakPolarHBondContact OD1-CB 3.33Å; N53-A55 PolarHBondContact OD1-N 3.22Å; A55-P353 HydrophobicContact CB-CG 4Å; A55-P362 HydrophobicContact CB-CG 4.02Å; A55-F399 HydrophobicContact CB-CZ 4.16Å
56	T	94.7	Very high	97.7	Very high	83 Å²	83	44.8 Å²	44.8	51%	0.509	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.5	-21.1	-176.3	71.8	0	0	0	0	113.6	N53 D58	N53-T56 PolarHBondContact O-N 3.36Å; T56-D58 VanDerWaalsContact CB-OD2 3.23Å; T56-D58 WeakPolarHBondContact CB-OD2 3.46Å; T56-D58 PolarHBondContact O-N 3.47Å; T56-D58 WeakPolarHBondContact OG1-CB 3.4Å; T56-D58 VanDerWaalsContact OG1-CG 3.26Å; T56-D58 PolarHBondContact OG1-N 3.27Å; T56-D58 PolarHBondContact OG1-OD2 3.09Å
57	G	93.3	Very high	97.7	Very high	40 Å²	40	44.7 Å²	44.7	41%	0.412	24%	0.242	S	C	.	.			trans	81.9	-6.7	-171.9	0	0	0	0	0	114.2	R52 N53	R52-G57 PolarHBondContact NH1-O 3.22Å; N53-G57 WeakPolarHBondContact O-CA 3.38Å; N53-G57 PolarHBondContact O-N 3.17Å
58	D	95.1	Very high	97.7	Very high	105 Å²	105	44.7 Å²	44.7	56%	0.561	25%	0.245	S	C	*	.			trans	-70.7	146.9	-176.4	-60	-46.6	0	0	0	111.8	R52 N53 T56 I60	R52-D58 CarbonylContact C-O 3.59Å; R52-D58 VanDerWaalsContact CA-O 3.28Å; R52-D58 WeakPolarHBondContact CA-O 3.37Å; N53-D58 PolarHBondContact N-O 2.9Å; T56-D58 VanDerWaalsContact CB-OD2 3.23Å; T56-D58 WeakPolarHBondContact CB-OD2 3.46Å; T56-D58 PolarHBondContact O-N 3.47Å; T56-D58 WeakPolarHBondContact OG1-CB 3.4Å; T56-D58 VanDerWaalsContact OG1-CG 3.26Å; T56-D58 PolarHBondContact OG1-N 3.27Å; T56-D58 PolarHBondContact OG1-OD2 3.09Å; D58-I60 PolarHBondContact O-N 2.89Å
59	T	97.3	Very high	97.7	Very high	64 Å²	64	47.1 Å²	47.1	39%	0.393	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	125.1	168.3	-60.9	0	0	0	0	109.4	P50 R52	P50-T59 HydrophobicContact CB-CG2 3.82Å; R52-T59 PolarHBondContact NH1-OG1 3.14Å
60	I	97.8	Very high	97.7	Very high	45 Å²	45	47.1 Å²	47.1	23%	0.231	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	-53.4	175.3	-56.2	164.5	0	0	0	109.2	V29 T51 N53 D58 L120 D121 L211	V29-I60 HydrophobicContact CG2-CG2 3.82Å; T51-I60 HydrophobicContact CG2-CB 4.25Å; T51-I60 PolarHBondContact O-N 3.27Å; N53-I60 HydrophobicContact CB-CD1 4.11Å; N53-I60 HydrophobicContact CB-CG1 3.87Å; D58-I60 PolarHBondContact O-N 2.89Å; I60-L120 HydrophobicContact CD1-CB 4.34Å; I60-L120 WeakPolarHBondContact CD1-O 3.27Å; I60-D121 WeakPolarHBondContact CD1-OD1 3.44Å; I60-L211 HydrophobicContact CD1-CD1 4.35Å; I60-L211 HydrophobicContact CG2-CD1 3.89Å
61	C	98.4	Very high	97.7	Very high	23 Å²	23	44.7 Å²	44.7	16%	0.155	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166	170.9	174.5	62.8	0	0	0	0	111.8	V29 T32 T51	V29-C61 HydrophobicContact CB-CB 4.44Å; T32-C61 HydrophobicContact CG2-CB 4.44Å; T51-C61 PolarHBondContact N-O 2.85Å
62	E	98.6	Very high	97.8	Very high	86 Å²	86	47.1 Å²	47.1	40%	0.402	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	138.6	169	-68.2	-65.7	143.1	0	0	111	T32 T48 P50	T32-E62 WeakPolarHBondContact CB-O 3.46Å; T48-E62 WeakPolarHBondContact CB-OE2 3.43Å; T48-E62 PolarHBondContact OG1-OE2 2.94Å; P50-E62 WeakPolarHBondContact CB-OE1 3.34Å
63	V	98.8	Very high	97.8	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	143.3	178.1	-179.7	0	0	0	0	109.7	T32 T48 F49 T51 E65 P210 L211 L214 P241	T32-V63 WeakPolarHBondContact O-CA 3.46Å; T48-V63 CarbonylContact C-O 3.52Å; T48-V63 WeakPolarHBondContact CA-O 3.41Å; T48-V63 VanDerWaalsContact CB-O 3.22Å; T48-V63 WeakPolarHBondContact CB-O 3.46Å; F49-V63 HydrophobicContact CE1-CB 4.1Å; F49-V63 HydrophobicContact CE1-CG1 4.07Å; F49-V63 HydrophobicContact CE2-CB 4.29Å; F49-V63 HydrophobicContact CZ-CB 3.94Å; F49-V63 HydrophobicContact CZ-CG1 3.96Å; F49-V63 PolarHBondContact N-O 3.12Å; F49-V63 PolarHBondContact O-N 3.07Å; T51-V63 HydrophobicContact CG2-CG2 4.29Å; V63-E65 PolarHBondContact O-N 2.92Å; V63-P210 HydrophobicContact CB-CG 4.43Å; V63-P210 HydrophobicContact CG1-CB 4.37Å; V63-P210 HydrophobicContact CG1-CG 4.36Å; V63-P210 HydrophobicContact CG2-CG 3.88Å; V63-L211 HydrophobicContact CG2-CD2 3.93Å; V63-L214 HydrophobicContact CG1-CD1 3.8Å; V63-P241 HydrophobicContact CG1-CB 3.67Å; V63-P241 HydrophobicContact CG1-CG 3.72Å
64	Q	98.8	Very high	97.9	Very high	11 Å²	11	44.4 Å²	44.4	5%	0.051	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.6	130.3	176.8	-64.5	-60.6	-60.1	0	0	111.3	T32 K33 I34 M42 S43 T48 F49 A66 P241	T32-Q64 WeakPolarHBondContact O-CG 3.48Å; T32-Q64 PolarHBondContact O-N 2.9Å; K33-Q64 HydrophobicContact CB-CG 4.27Å; K33-Q64 HydrophobicContact CG-CG 4.03Å; I34-Q64 HydrophobicContact CD1-CB 4.22Å; I34-Q64 HydrophobicContact CG1-CB 4.05Å; M42-Q64 HydrophobicContact SD-CG 4.45Å; S43-Q64 PolarHBondContact OG-OE1 3.42Å; T48-Q64 VanDerWaalsContact CG2-NE2 3.29Å; F49-Q64 WeakPolarHBondContact CE1-O 3.42Å; Q64-A66 PolarHBondContact O-N 2.93Å; Q64-P241 VanDerWaalsContact O-O 3.1Å
65	E	98.8	Very high	97.9	Very high	21 Å²	21	44.3 Å²	44.3	10%	0.098	24%	0.239	C	C	.	.			trans	-91.6	94.6	-179.1	-167.7	-165.3	134.6	0	0	110.1	S43 R47 F49 V63 F243	S43-E65 WeakPolarHBondContact CB-O 3.09Å; R47-E65 HydrophobicContact CB-CB 4.06Å; R47-E65 IonicContact CZ-OE1 3.99Å; R47-E65 IonicContact NE-OE1 2.74Å; R47-E65 PolarHBondContact NE-OE1 3.45Å; R47-E65 IonicContact NE-OE2 3.11Å; R47-E65 IonicContact NH1-OE1 3.81Å; R47-E65 IonicContact NH2-OE1 3.38Å; R47-E65 PolarHBondContact NH2-OE1 2.99Å; R47-E65 PolarHBondContact O-N 3.08Å; F49-E65 HydrophobicContact CD1-CB 3.81Å; F49-E65 HydrophobicContact CD1-CG 3.98Å; V63-E65 PolarHBondContact O-N 2.92Å; E65-F243 HydrophobicContact CG-CD2 4.02Å; E65-F243 HydrophobicContact CG-CE2 4.04Å
66	A	98.8	Very high	98	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.253	C	S	.	.			trans	-67.9	140.8	174.5	0	0	0	0	0	111.6	I34 Q64 D70 I240 P241	I34-A66 HydrophobicContact CD1-CB 3.74Å; I34-A66 HydrophobicContact CG1-CB 4.06Å; Q64-A66 PolarHBondContact O-N 2.93Å; A66-D70 WeakPolarHBondContact CA-OD2 3.42Å; A66-D70 HydrophobicContact CB-CB 3.91Å; A66-I240 HydrophobicContact CB-CB 4.41Å; A66-I240 HydrophobicContact CB-CG2 3.18Å; A66-P241 WeakPolarHBondContact CB-O 3.42Å; A66-P241 PolarHBondContact N-O 3.47Å
67	D	98.7	Very high	98.2	Very high	47 Å²	47	42.1 Å²	42.1	25%	0.251	23%	0.23	S	C	.	.			trans	-125.6	-171.1	172	-147.7	-38.3	0	0	0	110	R47 E69 D70 V71 T246	R47-D67 IonicContact NH2-OD2 3.95Å; R47-D67 PolarHBondContact NH2-OD2 2.74Å; R47-D67 VanDerWaalsContact NH2-OD2 3.11Å; D67-E69 VanDerWaalsContact C-N 3.26Å; D67-E69 PolarHBondContact O-N 2.73Å; D67-D70 PolarHBondContact N-OD2 2.65Å; D67-D70 VanDerWaalsContact N-OD2 3.12Å; D67-D70 WeakPolarHBondContact O-CB 3.35Å; D67-D70 PolarHBondContact O-N 3.39Å; D67-V71 PolarHBondContact O-N 3Å; D67-V71 VanDerWaalsContact O-N 3.08Å; D67-T246 WeakPolarHBondContact OD1-CB 3.31Å
68	K	98.8	Very high	98.5	Very high	115 Å²	115	40.2 Å²	40.2	50%	0.5	21%	0.21	S	C	.	.	H	α-helix	trans	-49.8	-42.6	-178.4	-179.8	174.8	177.4	-61.3	0	113.4	D70 V71 D72 A250	K68-D70 VanDerWaalsContact C-N 3.3Å; K68-D70 PolarHBondContact O-N 2.83Å; K68-V71 WeakPolarHBondContact O-CB 3.27Å; K68-V71 PolarHBondContact O-N 2.8Å; K68-D72 IonicContact NZ-OD1 3.16Å; K68-D72 IonicContact NZ-OD2 2.84Å; K68-D72 PolarHBondContact NZ-OD2 3.01Å; K68-D72 PolarHBondContact O-N 2.92Å; K68-A250 HydrophobicContact CB-CB 3.96Å; K68-A250 HydrophobicContact CG-CB 4.1Å
69	E	98.8	Very high	98.7	Very high	109 Å²	109	41.1 Å²	41.1	51%	0.509	21%	0.209	S	C	.	.	H	α-helix	trans	-63.6	-35.8	-179.8	-165.3	-168.3	138	0	0	112.6	A44 D67 D72 K73	A44-E69 HydrophobicContact CB-CB 4.01Å; A44-E69 VanDerWaalsContact CB-CD 3.42Å; A44-E69 HydrophobicContact CB-CG 4.1Å; A44-E69 WeakPolarHBondContact CB-OE1 3.48Å; A44-E69 WeakPolarHBondContact CB-OE2 3.31Å; D67-E69 VanDerWaalsContact C-N 3.26Å; D67-E69 PolarHBondContact O-N 2.73Å; E69-D72 PolarHBondContact O-N 3.19Å; E69-K73 WeakPolarHBondContact O-CG 3.36Å; E69-K73 PolarHBondContact O-N 3.44Å; E69-K73 VanDerWaalsContact O-N 3.08Å; E69-K73 VanDerWaalsContact OE1-CE 3.26Å; E69-K73 WeakPolarHBondContact OE1-CE 3.47Å; E69-K73 IonicContact OE1-NZ 3.3Å; E69-K73 PolarHBondContact OE1-NZ 3.29Å
70	D	98.9	Very high	98.8	Very high	4 Å²	4	41 Å²	41	2%	0.021	22%	0.215	C	C	.	.	H	α-helix	trans	-72.8	-35.7	176.9	-59	-61	0	0	0	111.3	I34 A44 A66 D67 K68 K73 A74	I34-D70 HydrophobicContact CD1-CB 4.03Å; A44-D70 WeakPolarHBondContact CB-OD1 3.31Å; A44-D70 PolarHBondContact N-OD1 2.66Å; A44-D70 PolarHBondContact N-OD2 3.14Å; A66-D70 WeakPolarHBondContact CA-OD2 3.42Å; A66-D70 HydrophobicContact CB-CB 3.91Å; D67-D70 PolarHBondContact N-OD2 2.65Å; D67-D70 VanDerWaalsContact N-OD2 3.12Å; D67-D70 WeakPolarHBondContact O-CB 3.35Å; D67-D70 PolarHBondContact O-N 3.39Å; K68-D70 VanDerWaalsContact C-N 3.3Å; K68-D70 PolarHBondContact O-N 2.83Å; D70-K73 PolarHBondContact O-N 3.37Å; D70-A74 WeakPolarHBondContact O-CB 3.37Å; D70-A74 PolarHBondContact O-N 3.05Å
71	V	98.9	Very high	98.8	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-62.2	-45.7	170.3	175.3	0	0	0	0	110.5	D67 K68 K73 A74 V75 I240 A247 A250 I251	D67-V71 PolarHBondContact O-N 3Å; D67-V71 VanDerWaalsContact O-N 3.08Å; K68-V71 WeakPolarHBondContact O-CB 3.27Å; K68-V71 PolarHBondContact O-N 2.8Å; V71-K73 VanDerWaalsContact C-N 3.29Å; V71-K73 PolarHBondContact O-N 3Å; V71-A74 WeakPolarHBondContact O-CB 3.23Å; V71-A74 PolarHBondContact O-N 3.38Å; V71-A74 VanDerWaalsContact O-N 3.09Å; V71-V75 HydrophobicContact CG1-CG2 4.23Å; V71-V75 WeakPolarHBondContact O-CG2 3.45Å; V71-V75 PolarHBondContact O-N 3.19Å; V71-I240 HydrophobicContact CG2-CG2 3.96Å; V71-A247 HydrophobicContact CG2-CB 4.25Å; V71-A250 HydrophobicContact CB-CB 4.15Å; V71-A250 HydrophobicContact CG1-CB 4.26Å; V71-A250 HydrophobicContact CG2-CB 4.03Å; V71-I251 HydrophobicContact CG1-CG1 3.73Å; V71-I251 HydrophobicContact CG2-CG1 4.1Å
72	D	98.9	Very high	98.8	Very high	54 Å²	54	39 Å²	39	29%	0.289	20%	0.203	S	C	.	.	H	α-helix	trans	-58.3	-42.6	178.3	-65.3	-15.2	0	0	0	110.4	K68 E69 V75 A76 H254	K68-D72 IonicContact NZ-OD1 3.16Å; K68-D72 IonicContact NZ-OD2 2.84Å; K68-D72 PolarHBondContact NZ-OD2 3.01Å; K68-D72 PolarHBondContact O-N 2.92Å; E69-D72 PolarHBondContact O-N 3.19Å; D72-V75 PolarHBondContact O-N 2.78Å; D72-A76 WeakPolarHBondContact O-CB 3.36Å; D72-A76 PolarHBondContact O-N 2.82Å; D72-H254 IonicContact OD1-CD2 2.88Å; D72-H254 PolarHBondContact OD1-CD2 3.01Å; D72-H254 IonicContact OD1-NE2 3.73Å; D72-H254 PolarHBondContact OD1-NE2 3.44Å; D72-H254 VanDerWaalsContact OD1-NE2 3.15Å
73	K	98.9	Very high	98.7	Very high	93 Å²	93	39.8 Å²	39.8	40%	0.404	21%	0.207	S	C	.	.	H	α-helix	trans	-62.5	-43.1	173.6	-71	167.6	-170.9	162.4	0	112.6	I36 E69 D70 V71 A76 A77	I36-K73 HydrophobicContact CD1-CB 4.1Å; E69-K73 WeakPolarHBondContact O-CG 3.36Å; E69-K73 PolarHBondContact O-N 3.44Å; E69-K73 VanDerWaalsContact O-N 3.08Å; E69-K73 VanDerWaalsContact OE1-CE 3.26Å; E69-K73 WeakPolarHBondContact OE1-CE 3.47Å; E69-K73 IonicContact OE1-NZ 3.3Å; E69-K73 PolarHBondContact OE1-NZ 3.29Å; D70-K73 PolarHBondContact O-N 3.37Å; V71-K73 VanDerWaalsContact C-N 3.29Å; V71-K73 PolarHBondContact O-N 3Å; K73-A76 PolarHBondContact O-N 2.82Å; K73-A77 PolarHBondContact O-N 2.98Å
74	A	98.9	Very high	98.5	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-66	-40.2	178.8	0	0	0	0	0	112.4	I36 D70 V71 A77 A78 V202 N238 I240	I36-A74 HydrophobicContact CD1-CB 3.98Å; I36-A74 HydrophobicContact CG1-CB 3.97Å; D70-A74 WeakPolarHBondContact O-CB 3.37Å; D70-A74 PolarHBondContact O-N 3.05Å; V71-A74 WeakPolarHBondContact O-CB 3.23Å; V71-A74 PolarHBondContact O-N 3.38Å; V71-A74 VanDerWaalsContact O-N 3.09Å; A74-A77 WeakPolarHBondContact O-CB 3.43Å; A74-A77 PolarHBondContact O-N 3.42Å; A74-A78 WeakPolarHBondContact O-CB 3.37Å; A74-A78 PolarHBondContact O-N 3.48Å; A74-V202 HydrophobicContact CB-CG1 3.83Å; A74-V202 HydrophobicContact CB-CG2 4.15Å; A74-N238 HydrophobicContact CB-CB 3.99Å; A74-I240 HydrophobicContact CB-CD1 3.42Å; A74-I240 VanDerWaalsContact CB-CD1 3.42Å; A74-I240 HydrophobicContact CB-CG1 3.86Å
75	V	98.9	Very high	98.4	Very high	4 Å²	4	51.1 Å²	51.1	2%	0.024	27%	0.268	C	S	.	.	H	α-helix	trans	-67.7	-39.4	176.3	176.5	0	0	0	0	110.7	V71 D72 A77 A78 K79 I173 V202 H254 I257	V71-V75 HydrophobicContact CG1-CG2 4.23Å; V71-V75 WeakPolarHBondContact O-CG2 3.45Å; V71-V75 PolarHBondContact O-N 3.19Å; D72-V75 PolarHBondContact O-N 2.78Å; V75-A77 VanDerWaalsContact C-N 3.33Å; V75-A77 PolarHBondContact O-N 2.97Å; V75-A78 PolarHBondContact O-N 3.24Å; V75-K79 VanDerWaalsContact O-CB 3.29Å; V75-K79 WeakPolarHBondContact O-CB 3.48Å; V75-K79 PolarHBondContact O-N 2.84Å; V75-I173 HydrophobicContact CG1-CD1 4.07Å; V75-V202 HydrophobicContact CG2-CG2 4.12Å; V75-H254 WeakPolarHBondContact CG1-CE1 3.42Å; V75-I257 HydrophobicContact CG1-CG1 4.36Å; V75-I257 HydrophobicContact CG2-CD1 3.73Å; V75-I257 HydrophobicContact CG2-CG1 3.67Å
76	A	98.9	Very high	98.3	Very high	60 Å²	60	51 Å²	51	50%	0.496	27%	0.269	S	S	.	.	H	α-helix	trans	-59.6	-43	173.5	0	0	0	0	0	112.2	D72 K73 K79 A80	D72-A76 WeakPolarHBondContact O-CB 3.36Å; D72-A76 PolarHBondContact O-N 2.82Å; K73-A76 PolarHBondContact O-N 2.82Å; A76-K79 PolarHBondContact O-N 3.04Å; A76-A80 PolarHBondContact O-N 2.76Å
77	A	98.9	Very high	98.2	Very high	4 Å²	4	54.3 Å²	54.3	3%	0.033	30%	0.297	C	S	.	.	H	α-helix	trans	-61.5	-47.4	173.6	0	0	0	0	0	112.4	I36 N37 K73 A74 V75 K79 A80 A81	I36-A77 HydrophobicContact CG2-CB 3.61Å; N37-A77 WeakPolarHBondContact ND2-CB 3.25Å; N37-A77 WeakPolarHBondContact OD1-CB 3.42Å; K73-A77 PolarHBondContact O-N 2.98Å; A74-A77 WeakPolarHBondContact O-CB 3.43Å; A74-A77 PolarHBondContact O-N 3.42Å; V75-A77 VanDerWaalsContact C-N 3.33Å; V75-A77 PolarHBondContact O-N 2.97Å; A77-K79 VanDerWaalsContact C-N 3.29Å; A77-K79 PolarHBondContact O-N 3.35Å; A77-A80 PolarHBondContact O-N 2.83Å; A77-A81 PolarHBondContact O-N 3Å
78	A	98.9	Very high	98.1	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-60.7	-38.1	176.7	0	0	0	0	0	112.6	A74 V75 A81 M82 I173 T200 V202 G235	A74-A78 WeakPolarHBondContact O-CB 3.37Å; A74-A78 PolarHBondContact O-N 3.48Å; V75-A78 PolarHBondContact O-N 3.24Å; A78-A81 PolarHBondContact O-N 2.91Å; A78-M82 PolarHBondContact O-N 3.45Å; A78-I173 HydrophobicContact CB-CD1 4.21Å; A78-I173 HydrophobicContact CB-CG1 4.05Å; A78-I173 HydrophobicContact CB-CG2 3.8Å; A78-T200 PolarHBondContact O-OG1 3.19Å; A78-V202 HydrophobicContact CB-CG2 3.96Å; A78-G235 WeakPolarHBondContact CA-O 3.43Å
79	K	98.8	Very high	98	Very high	124 Å²	124	50.6 Å²	50.6	54%	0.539	28%	0.276	S	S	.	.	H	α-helix	trans	-67.1	-41.4	176.2	-172.5	173.7	-179.2	175.1	0	112.5	V75 A76 A77 A81 M82 Q83 I173	V75-K79 VanDerWaalsContact O-CB 3.29Å; V75-K79 WeakPolarHBondContact O-CB 3.48Å; V75-K79 PolarHBondContact O-N 2.84Å; A76-K79 PolarHBondContact O-N 3.04Å; A77-K79 VanDerWaalsContact C-N 3.29Å; A77-K79 PolarHBondContact O-N 3.35Å; K79-A81 VanDerWaalsContact C-N 3.31Å; K79-M82 PolarHBondContact O-N 3.39Å; K79-Q83 WeakPolarHBondContact O-CG 3.2Å; K79-Q83 PolarHBondContact O-N 2.95Å; K79-Q83 PolarHBondContact O-NE2 2.84Å; K79-I173 HydrophobicContact CB-CD1 3.68Å; K79-I173 HydrophobicContact CG-CD1 4.36Å
80	A	98.7	Very high	97.9	Very high	61 Å²	61	51.4 Å²	51.4	50%	0.504	28%	0.278	S	S	.	.	H	α-helix	trans	-62.1	-42.3	174	0	0	0	0	0	110.9	A76 A77 M82 Q83	A76-A80 PolarHBondContact O-N 2.76Å; A77-A80 PolarHBondContact O-N 2.83Å; A80-M82 VanDerWaalsContact C-N 3.27Å; A80-M82 PolarHBondContact O-N 3.43Å; A80-Q83 PolarHBondContact O-N 3.3Å
81	A	98.5	Very high	97.8	Very high	8 Å²	8	52.5 Å²	52.5	7%	0.066	28%	0.283	C	S	.	.	H	α-helix	trans	-67.7	-22.4	175.6	0	0	0	0	0	113.7	A77 A78 K79 S86 T200 V236	A77-A81 PolarHBondContact O-N 3Å; A78-A81 PolarHBondContact O-N 2.91Å; K79-A81 VanDerWaalsContact C-N 3.31Å; A81-S86 WeakPolarHBondContact O-CB 3.31Å; A81-S86 PolarHBondContact O-OG 2.8Å; A81-T200 HydrophobicContact CB-CG2 3.84Å; A81-V236 HydrophobicContact CB-CG2 4.08Å
82	M	98	Very high	97.7	Very high	17 Å²	17	58.3 Å²	58.3	8%	0.084	31%	0.31	C	S	.	.	H	α-helix	trans	-92.9	-3.1	177.4	-80	-56.5	-81.5	0	0	116	A78 K79 A80 R89 P170 I173 T200	A78-M82 PolarHBondContact O-N 3.45Å; K79-M82 PolarHBondContact O-N 3.39Å; A80-M82 VanDerWaalsContact C-N 3.27Å; A80-M82 PolarHBondContact O-N 3.43Å; M82-R89 WeakPolarHBondContact O-CG 3.29Å; M82-R89 PolarHBondContact O-NH1 3.33Å; M82-R89 HydrophobicContact SD-CG 4.5Å; M82-P170 HydrophobicContact CE-CB 3.97Å; M82-P170 HydrophobicContact CE-CG 3.93Å; M82-I173 HydrophobicContact CG-CG1 4.41Å; M82-T200 HydrophobicContact CG-CG2 3.46Å; M82-T200 VanDerWaalsContact CG-CG2 3.46Å; M82-T200 WeakPolarHBondContact CG-OG1 3.42Å; M82-T200 HydrophobicContact SD-CG2 3.65Å
83	Q	97.9	Very high	97.6	Very high	103 Å²	103	57.8 Å²	57.8	48%	0.481	31%	0.31	S	S	.	.	S	Bend	trans	-56.1	141.8	175	-65.4	-52.4	-53.3	0	0	111	K79 A80 D85 S86 R89	K79-Q83 WeakPolarHBondContact O-CG 3.2Å; K79-Q83 PolarHBondContact O-N 2.95Å; K79-Q83 PolarHBondContact O-NE2 2.84Å; A80-Q83 PolarHBondContact O-N 3.3Å; Q83-D85 PolarHBondContact O-N 3.49Å; Q83-S86 WeakPolarHBondContact O-CB 3.12Å; Q83-S86 PolarHBondContact O-N 2.86Å; Q83-S86 PolarHBondContact O-OG 3.21Å; Q83-R89 WeakPolarHBondContact O-CB 3.2Å; Q83-R89 WeakPolarHBondContact O-CG 3.4Å
84	L	94.8	Very high	97.5	Very high	124 Å²	124	55.9 Å²	55.9	65%	0.649	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52	-37.2	-175.7	-72.3	170.3	0	0	0	112.5	S86 R89	L84-S86 VanDerWaalsContact C-N 3.33Å; L84-S86 PolarHBondContact O-N 2.81Å; L84-R89 WeakPolarHBondContact O-CB 3.3Å
85	D	94.8	Very high	97.3	Very high	125 Å²	125	63.5 Å²	63.5	67%	0.668	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.3	-0.1	-178.2	-79.4	-54.6	0	0	0	115.3	Q83 K90	Q83-D85 PolarHBondContact O-N 3.49Å; D85-K90 VanDerWaalsContact O-CE 3.23Å; D85-K90 WeakPolarHBondContact O-CE 3.39Å; D85-K90 PolarHBondContact O-NZ 2.91Å; D85-K90 WeakPolarHBondContact OD1-CE 3.47Å; D85-K90 IonicContact OD1-NZ 2.69Å; D85-K90 PolarHBondContact OD1-NZ 3.34Å
86	S	97.4	Very high	97.3	Very high	19 Å²	19	64.8 Å²	64.8	13%	0.133	34%	0.34	C	S	.	.	S	Bend	trans	-68.7	158	-174.6	87.7	0	0	0	0	112.6	A81 Q83 L84 W88 R89 K90	A81-S86 WeakPolarHBondContact O-CB 3.31Å; A81-S86 PolarHBondContact O-OG 2.8Å; Q83-S86 WeakPolarHBondContact O-CB 3.12Å; Q83-S86 PolarHBondContact O-N 2.86Å; Q83-S86 PolarHBondContact O-OG 3.21Å; L84-S86 VanDerWaalsContact C-N 3.33Å; L84-S86 PolarHBondContact O-N 2.81Å; S86-W88 PolarHBondContact O-N 2.9Å; S86-W88 PolarHBondContact OG-N 2.9Å; S86-R89 PolarHBondContact O-N 3.07Å; S86-R89 PolarHBondContact OG-N 3.5Å; S86-R89 VanDerWaalsContact OG-N 3.09Å; S86-K90 PolarHBondContact O-N 3.46Å
87	A	95.9	Very high	97.2	Very high	70 Å²	70	62 Å²	62	58%	0.579	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-26.8	173.9	0	0	0	0	0	113.1	M91 P233	A87-M91 WeakPolarHBondContact O-CB 3.47Å; A87-M91 PolarHBondContact O-N 2.91Å; A87-P233 HydrophobicContact CB-CB 4.47Å; A87-P233 HydrophobicContact CB-CG 4.23Å
88	W	97.7	Very high	97.1	Very high	3 Å²	3	69.1 Å²	69.1	1%	0.011	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-44.9	178.8	-174.4	-123.4	0	0	0	111.8	S86 M91 R96 L99 L195 G198 N199 F232 P233 V236	S86-W88 PolarHBondContact O-N 2.9Å; S86-W88 PolarHBondContact OG-N 2.9Å; W88-M91 HydrophobicContact CE3-CE 3.94Å; W88-M91 HydrophobicContact CE3-SD 4.04Å; W88-M91 HydrophobicContact CZ3-CE 4.18Å; W88-M91 HydrophobicContact CZ3-SD 3.82Å; W88-M91 VanDerWaalsContact O-CB 3.25Å; W88-M91 WeakPolarHBondContact O-CB 3.44Å; W88-M91 PolarHBondContact O-N 2.83Å; W88-R96 HydrophobicContact CE3-CG 4.48Å; W88-R96 HydrophobicContact CH2-CB 4.05Å; W88-R96 HydrophobicContact CH2-CG 3.7Å; W88-R96 HydrophobicContact CZ2-CG 4.31Å; W88-R96 HydrophobicContact CZ3-CB 4.41Å; W88-R96 HydrophobicContact CZ3-CG 3.8Å; W88-L99 HydrophobicContact CZ3-CD1 3.87Å; W88-L195 HydrophobicContact CH2-CD2 4.49Å; W88-L195 HydrophobicContact CZ2-CB 4.41Å; W88-L195 HydrophobicContact CZ2-CD2 3.99Å; W88-G198 PolarHBondContact NE1-O 3.26Å; W88-N199 PolarHBondContact NE1-O 3.43Å; W88-F232 HydrophobicContact CH2-CD1 4.16Å; W88-F232 AromaticContact CH2-CE1 3.97Å; W88-F232 HydrophobicContact CH2-CE1 3.97Å; W88-F232 HydrophobicContact CZ3-CD1 4.07Å; W88-F232 HydrophobicContact CZ3-CE1 4.25Å; W88-P233 HydrophobicContact CB-CG 4.21Å; W88-P233 HydrophobicContact CE3-CG 4.17Å; W88-V236 HydrophobicContact CB-CG2 3.8Å; W88-V236 HydrophobicContact CD2-CG1 3.93Å; W88-V236 HydrophobicContact CD2-CG2 3.69Å; W88-V236 HydrophobicContact CE3-CG1 4.28Å; W88-V236 HydrophobicContact CE3-CG2 4.1Å; W88-V236 HydrophobicContact CG-CG1 4.44Å; W88-V236 HydrophobicContact CG-CG2 3.55Å; W88-V236 HydrophobicContact CH2-CG1 4.22Å; W88-V236 HydrophobicContact CZ2-CG1 3.85Å; W88-V236 HydrophobicContact CZ3-CG1 4.41Å
89	R	97.5	Very high	97.1	Very high	80 Å²	80	69.3 Å²	69.3	30%	0.302	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-33.5	179.8	-70.2	-62.3	-59.4	-81.3	5.1	113.3	M82 Q83 L84 S86 M91	M82-R89 WeakPolarHBondContact O-CG 3.29Å; M82-R89 PolarHBondContact O-NH1 3.33Å; M82-R89 HydrophobicContact SD-CG 4.5Å; Q83-R89 WeakPolarHBondContact O-CB 3.2Å; Q83-R89 WeakPolarHBondContact O-CG 3.4Å; L84-R89 WeakPolarHBondContact O-CB 3.3Å; S86-R89 PolarHBondContact O-N 3.07Å; S86-R89 PolarHBondContact OG-N 3.5Å; S86-R89 VanDerWaalsContact OG-N 3.09Å; R89-M91 VanDerWaalsContact C-N 3.27Å
90	K	96.3	Very high	97.1	Very high	126 Å²	126	63.4 Å²	63.4	55%	0.548	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-4.3	172.9	-64	-172	-172.7	176.6	0	113.6	D85 S86 E92	D85-K90 VanDerWaalsContact O-CE 3.23Å; D85-K90 WeakPolarHBondContact O-CE 3.39Å; D85-K90 PolarHBondContact O-NZ 2.91Å; D85-K90 WeakPolarHBondContact OD1-CE 3.47Å; D85-K90 IonicContact OD1-NZ 2.69Å; D85-K90 PolarHBondContact OD1-NZ 3.34Å; S86-K90 PolarHBondContact O-N 3.46Å; K90-E92 PolarHBondContact O-N 2.75Å
91	M	96.2	Very high	97.1	Very high	28 Å²	28	63.4 Å²	63.4	14%	0.138	31%	0.308	C	S	.	.	S	Bend	trans	-72.4	122.9	-178.1	-170.7	173	-60.7	0	0	110.6	A87 W88 R89 R95 R96 L99 P233	A87-M91 WeakPolarHBondContact O-CB 3.47Å; A87-M91 PolarHBondContact O-N 2.91Å; W88-M91 HydrophobicContact CE3-CE 3.94Å; W88-M91 HydrophobicContact CE3-SD 4.04Å; W88-M91 HydrophobicContact CZ3-CE 4.18Å; W88-M91 HydrophobicContact CZ3-SD 3.82Å; W88-M91 VanDerWaalsContact O-CB 3.25Å; W88-M91 WeakPolarHBondContact O-CB 3.44Å; W88-M91 PolarHBondContact O-N 2.83Å; R89-M91 VanDerWaalsContact C-N 3.27Å; M91-R95 HydrophobicContact CG-CB 3.63Å; M91-R95 HydrophobicContact SD-CB 3.9Å; M91-R96 HydrophobicContact CB-CG 4.38Å; M91-R96 HydrophobicContact CG-CG 4.09Å; M91-R96 PolarHBondContact O-NH1 2.98Å; M91-R96 HydrophobicContact SD-CG 3.86Å; M91-L99 HydrophobicContact CE-CD1 3.89Å; M91-L99 HydrophobicContact SD-CD1 3.61Å; M91-P233 HydrophobicContact CE-CG 4.09Å
92	E	96.1	Very high	97	Very high	121 Å²	121	65.3 Å²	65.3	57%	0.565	32%	0.315	S	S	*	.			trans	-50.9	132.8	171.4	-66	-56.7	139.6	0	0	111.4	K90 P94 R95 R96	K90-E92 PolarHBondContact O-N 2.75Å; E92-P94 VanDerWaalsContact C-CD 3.47Å; E92-R95 HydrophobicContact CB-CG 4.29Å; E92-R95 WeakPolarHBondContact O-CA 3.37Å; E92-R95 WeakPolarHBondContact O-CB 3.4Å; E92-R95 PolarHBondContact O-N 3.5Å; E92-R96 PolarHBondContact O-N 2.92Å
93	P	96.6	Very high	97	Very high	44 Å²	44	64.5 Å²	64.5	29%	0.286	31%	0.311	S	S	.	.	H	α-helix	trans	-50.5	-42.4	-177.4	-24	30.4	0	0	0	115.5	R95 R96 G97 A148 D149	P93-R95 PolarHBondContact O-N 3.43Å; P93-R96 WeakPolarHBondContact O-CB 3.44Å; P93-R96 PolarHBondContact O-N 3.16Å; P93-R96 VanDerWaalsContact O-N 3.07Å; P93-G97 PolarHBondContact O-N 3.26Å; P93-A148 VanDerWaalsContact CB-O 3.23Å; P93-A148 WeakPolarHBondContact CB-O 2.93Å; P93-A148 WeakPolarHBondContact O-CB 3.31Å; P93-D149 HydrophobicContact CB-CB 4.09Å
94	P	96.9	Very high	97	Very high	52 Å²	52	59.6 Å²	59.6	34%	0.338	29%	0.288	S	S	.	.	H	α-helix	trans	-61.2	-28.4	175.6	-23.2	33	0	0	0	113.8	E92 G97 R98 D149	E92-P94 VanDerWaalsContact C-CD 3.47Å; P94-G97 PolarHBondContact O-N 3.43Å; P94-R98 WeakPolarHBondContact O-CG 3.48Å; P94-R98 PolarHBondContact O-N 3.17Å; P94-D149 HydrophobicContact CB-CB 4.48Å; P94-D149 HydrophobicContact CG-CB 3.78Å
95	R	96.4	Very high	97.2	Very high	160 Å²	160	57.2 Å²	57.2	60%	0.604	28%	0.276	S	S	*	.	H	α-helix	trans	-71.1	-35.5	176.3	-69	-175.4	177.8	-168.2	0.7	111.4	M91 E92 P93 G97 R98 L99	M91-R95 HydrophobicContact CG-CB 3.63Å; M91-R95 HydrophobicContact SD-CB 3.9Å; E92-R95 HydrophobicContact CB-CG 4.29Å; E92-R95 WeakPolarHBondContact O-CA 3.37Å; E92-R95 WeakPolarHBondContact O-CB 3.4Å; E92-R95 PolarHBondContact O-N 3.5Å; P93-R95 PolarHBondContact O-N 3.43Å; R95-G97 VanDerWaalsContact C-N 3.32Å; R95-R98 PolarHBondContact O-N 2.79Å; R95-L99 WeakPolarHBondContact O-CG 3.2Å; R95-L99 PolarHBondContact O-N 3.02Å; R95-L99 VanDerWaalsContact O-N 3.09Å
96	R	97.1	Very high	97.4	Very high	31 Å²	31	51.4 Å²	51.4	12%	0.117	25%	0.245	C	C	.	.	H	α-helix	trans	-60.6	-44.1	171.1	-59.4	-164.7	-59.2	-88.3	1.8	110.9	W88 M91 E92 P93 R98 L99 L100 A148 S196	W88-R96 HydrophobicContact CE3-CG 4.48Å; W88-R96 HydrophobicContact CH2-CB 4.05Å; W88-R96 HydrophobicContact CH2-CG 3.7Å; W88-R96 HydrophobicContact CZ2-CG 4.31Å; W88-R96 HydrophobicContact CZ3-CB 4.41Å; W88-R96 HydrophobicContact CZ3-CG 3.8Å; M91-R96 HydrophobicContact CB-CG 4.38Å; M91-R96 HydrophobicContact CG-CG 4.09Å; M91-R96 PolarHBondContact O-NH1 2.98Å; M91-R96 HydrophobicContact SD-CG 3.86Å; E92-R96 PolarHBondContact O-N 2.92Å; P93-R96 WeakPolarHBondContact O-CB 3.44Å; P93-R96 PolarHBondContact O-N 3.16Å; P93-R96 VanDerWaalsContact O-N 3.07Å; R96-R98 PolarHBondContact O-N 3.39Å; R96-L99 WeakPolarHBondContact O-CB 3.31Å; R96-L99 PolarHBondContact O-N 2.77Å; R96-L99 VanDerWaalsContact O-N 3.11Å; R96-L100 PolarHBondContact O-N 3.35Å; R96-A148 HydrophobicContact CB-CB 4.3Å; R96-A148 PolarHBondContact NH2-O 2.93Å; R96-S196 PolarHBondContact NE-O 3.1Å; R96-S196 PolarHBondContact NH2-O 2.98Å
97	G	97.9	Very high	97.4	Very high	2 Å²	2	50.6 Å²	50.6	2%	0.021	24%	0.239	C	C	.	.	H	α-helix	trans	-57.6	-44.9	174.2	0	0	0	0	0	113.1	P93 P94 R95 L99 L100 H101 G145	P93-G97 PolarHBondContact O-N 3.26Å; P94-G97 PolarHBondContact O-N 3.43Å; R95-G97 VanDerWaalsContact C-N 3.32Å; G97-L99 VanDerWaalsContact C-N 3.28Å; G97-L99 PolarHBondContact O-N 2.76Å; G97-L100 PolarHBondContact O-N 2.95Å; G97-H101 PolarHBondContact O-CD2 2.84Å; G97-H101 VanDerWaalsContact O-CD2 3.22Å; G97-H101 PolarHBondContact O-N 3.04Å; G97-G145 WeakPolarHBondContact CA-O 3.3Å
98	R	97.6	Very high	97.5	Very high	153 Å²	153	51.2 Å²	51.2	58%	0.577	23%	0.23	S	C	*	.	H	α-helix	trans	-60.5	-34.3	174.8	-70.6	176.4	-170	-177.9	3.1	113.3	P94 R95 R96 K102	P94-R98 WeakPolarHBondContact O-CG 3.48Å; P94-R98 PolarHBondContact O-N 3.17Å; R95-R98 PolarHBondContact O-N 2.79Å; R96-R98 PolarHBondContact O-N 3.39Å; R98-K102 VanDerWaalsContact O-CB 3.25Å; R98-K102 WeakPolarHBondContact O-CB 3.45Å; R98-K102 PolarHBondContact O-N 2.79Å
99	L	97.6	Very high	97.6	Very high	4 Å²	4	56.7 Å²	56.7	2%	0.021	25%	0.251	C	S	.	.	H	α-helix	trans	-67.9	-40.4	176.3	-67.2	175.3	0	0	0	112.1	W88 M91 R95 R96 G97 K102 L103 Q223 A230 F232	W88-L99 HydrophobicContact CZ3-CD1 3.87Å; M91-L99 HydrophobicContact CE-CD1 3.89Å; M91-L99 HydrophobicContact SD-CD1 3.61Å; R95-L99 WeakPolarHBondContact O-CG 3.2Å; R95-L99 PolarHBondContact O-N 3.02Å; R95-L99 VanDerWaalsContact O-N 3.09Å; R96-L99 WeakPolarHBondContact O-CB 3.31Å; R96-L99 PolarHBondContact O-N 2.77Å; R96-L99 VanDerWaalsContact O-N 3.11Å; G97-L99 VanDerWaalsContact C-N 3.28Å; G97-L99 PolarHBondContact O-N 2.76Å; L99-K102 PolarHBondContact O-N 3.28Å; L99-L103 PolarHBondContact O-N 3.11Å; L99-Q223 PolarHBondContact O-NE2 2.81Å; L99-A230 WeakPolarHBondContact CD2-O 3.36Å; L99-F232 HydrophobicContact CB-CD1 4.34Å; L99-F232 HydrophobicContact CB-CD2 4.46Å; L99-F232 HydrophobicContact CB-CE1 3.8Å; L99-F232 HydrophobicContact CB-CE2 3.95Å; L99-F232 HydrophobicContact CB-CZ 3.59Å; L99-F232 HydrophobicContact CD1-CD1 3.96Å; L99-F232 HydrophobicContact CD1-CE1 4.11Å; L99-F232 HydrophobicContact CD1-CG 4.38Å
100	L	98.3	Very high	97.6	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-64.7	-46.8	175.1	-71.7	171.3	0	0	0	111.8	R96 G97 K102 L103 A104 L141 L195 F232	R96-L100 PolarHBondContact O-N 3.35Å; G97-L100 PolarHBondContact O-N 2.95Å; L100-K102 VanDerWaalsContact C-N 3.27Å; L100-K102 PolarHBondContact O-N 2.84Å; L100-L103 PolarHBondContact O-N 2.99Å; L100-A104 PolarHBondContact O-N 2.58Å; L100-L141 HydrophobicContact CD2-CD2 3.91Å; L100-L195 HydrophobicContact CD2-CB 4.09Å; L100-L195 HydrophobicContact CD2-CD1 4.11Å; L100-F232 HydrophobicContact CD2-CZ 4.23Å
101	H	98.4	Very high	97.7	Very high	62 Å²	62	49 Å²	49	29%	0.287	22%	0.22	S	C	.	.	H	α-helix	trans	-58.2	-42.4	173.4	-68.7	-45.3	0	0	0	111.9	G97 L103 A104 D105 H142	G97-H101 PolarHBondContact O-CD2 2.84Å; G97-H101 VanDerWaalsContact O-CD2 3.22Å; G97-H101 PolarHBondContact O-N 3.04Å; H101-L103 VanDerWaalsContact C-N 3.33Å; H101-L103 PolarHBondContact O-N 2.99Å; H101-A104 WeakPolarHBondContact O-CA 3.42Å; H101-A104 VanDerWaalsContact O-CB 3.25Å; H101-A104 WeakPolarHBondContact O-CB 3.45Å; H101-A104 PolarHBondContact O-N 2.77Å; H101-A104 VanDerWaalsContact O-N 3.11Å; H101-D105 PolarHBondContact O-N 2.92Å; H101-H142 AromaticContact CE1-ND1 3.87Å; H101-H142 PolarHBondContact CE1-O 2.78Å; H101-H142 AromaticContact CG-ND1 3.99Å; H101-H142 AromaticContact ND1-CG 3.89Å; H101-H142 AromaticContact ND1-ND1 3.07Å; H101-H142 PolarHBondContact ND1-ND1 2.91Å
102	K	97.4	Very high	97.8	Very high	47 Å²	47	52.9 Å²	52.9	20%	0.204	24%	0.236	C	C	.	.	H	α-helix	trans	-70.4	-31	-179.6	-178.5	61.3	-177.2	173.6	0	112.8	R98 L99 L100 A104 D105 L106 Q223	R98-K102 VanDerWaalsContact O-CB 3.25Å; R98-K102 WeakPolarHBondContact O-CB 3.45Å; R98-K102 PolarHBondContact O-N 2.79Å; L99-K102 PolarHBondContact O-N 3.28Å; L100-K102 VanDerWaalsContact C-N 3.27Å; L100-K102 PolarHBondContact O-N 2.84Å; K102-A104 VanDerWaalsContact C-N 3.33Å; K102-D105 HydrophobicContact CD-CB 4.29Å; K102-D105 WeakPolarHBondContact CD-OD2 3.25Å; K102-D105 IonicContact NZ-OD2 2.93Å; K102-D105 PolarHBondContact NZ-OD2 2.91Å; K102-D105 PolarHBondContact O-N 2.76Å; K102-L106 WeakPolarHBondContact O-CG 3.41Å; K102-L106 PolarHBondContact O-N 2.81Å; K102-Q223 VanDerWaalsContact CB-NE2 3.27Å; K102-Q223 HydrophobicContact CG-CG 4.01Å
103	L	98.3	Very high	97.9	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-64.6	-40.7	169.3	-178.8	59.2	0	0	0	110.6	L99 L100 H101 D105 L106 V107 L141 L191 L219 I220 F232	L99-L103 PolarHBondContact O-N 3.11Å; L100-L103 PolarHBondContact O-N 2.99Å; H101-L103 VanDerWaalsContact C-N 3.33Å; H101-L103 PolarHBondContact O-N 2.99Å; L103-D105 PolarHBondContact O-N 3.41Å; L103-L106 PolarHBondContact O-N 3.27Å; L103-L106 VanDerWaalsContact O-N 3.12Å; L103-V107 HydrophobicContact CD1-CG2 4.47Å; L103-V107 WeakPolarHBondContact O-CG2 3.31Å; L103-V107 PolarHBondContact O-N 2.9Å; L103-L141 HydrophobicContact CB-CD1 4.48Å; L103-L141 HydrophobicContact CD2-CD1 4.37Å; L103-L141 HydrophobicContact CD2-CD2 3.95Å; L103-L141 HydrophobicContact CG-CD1 4.05Å; L103-L141 HydrophobicContact CG-CD2 4.4Å; L103-L191 HydrophobicContact CD2-CD2 4.01Å; L103-L219 HydrophobicContact CD1-CB 3.85Å; L103-I220 HydrophobicContact CD1-CG1 4.1Å; L103-I220 HydrophobicContact CD2-CG1 4.23Å; L103-F232 HydrophobicContact CB-CE2 4.32Å; L103-F232 HydrophobicContact CD2-CE2 4.27Å
104	A	98.5	Very high	98	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-58.4	-45.1	174.8	0	0	0	0	0	111.8	L100 H101 K102 L106 V107 E108 I138 L141 H142	L100-A104 PolarHBondContact O-N 2.58Å; H101-A104 WeakPolarHBondContact O-CA 3.42Å; H101-A104 VanDerWaalsContact O-CB 3.25Å; H101-A104 WeakPolarHBondContact O-CB 3.45Å; H101-A104 PolarHBondContact O-N 2.77Å; H101-A104 VanDerWaalsContact O-N 3.11Å; K102-A104 VanDerWaalsContact C-N 3.33Å; A104-L106 VanDerWaalsContact C-N 3.26Å; A104-L106 PolarHBondContact O-N 2.65Å; A104-V107 PolarHBondContact O-N 2.79Å; A104-E108 PolarHBondContact O-N 3.08Å; A104-I138 HydrophobicContact CB-CG2 4.44Å; A104-L141 HydrophobicContact CB-CB 3.71Å; A104-L141 HydrophobicContact CB-CD1 4.05Å; A104-H142 WeakPolarHBondContact CB-NE2 3.36Å
105	D	98.2	Very high	98.1	Very high	74 Å²	74	45.1 Å²	45.1	40%	0.396	19%	0.193	S	C	.	.	H	α-helix	trans	-57.1	-38.9	174.9	-61.5	-16.1	0	0	0	112.6	H101 K102 L103 R109	H101-D105 PolarHBondContact O-N 2.92Å; K102-D105 HydrophobicContact CD-CB 4.29Å; K102-D105 WeakPolarHBondContact CD-OD2 3.25Å; K102-D105 IonicContact NZ-OD2 2.93Å; K102-D105 PolarHBondContact NZ-OD2 2.91Å; K102-D105 PolarHBondContact O-N 2.76Å; L103-D105 PolarHBondContact O-N 3.41Å; D105-R109 WeakPolarHBondContact O-CB 3.45Å; D105-R109 PolarHBondContact O-N 3.44Å
106	L	98	Very high	98.2	Very high	4 Å²	4	37.6 Å²	37.6	2%	0.021	17%	0.165	C	C	.	.	H	α-helix	trans	-73.7	-36.8	-179.5	-67.3	173.4	0	0	0	111.4	K102 L103 A104 R109 D110 L219 Q223	K102-L106 WeakPolarHBondContact O-CG 3.41Å; K102-L106 PolarHBondContact O-N 2.81Å; L103-L106 PolarHBondContact O-N 3.27Å; L103-L106 VanDerWaalsContact O-N 3.12Å; A104-L106 VanDerWaalsContact C-N 3.26Å; A104-L106 PolarHBondContact O-N 2.65Å; L106-R109 WeakPolarHBondContact O-CB 3.14Å; L106-R109 PolarHBondContact O-N 3.03Å; L106-D110 PolarHBondContact O-N 3Å; L106-L219 HydrophobicContact CB-CB 4.27Å; L106-L219 HydrophobicContact CB-CD1 4.12Å; L106-L219 HydrophobicContact CB-CD2 4.37Å; L106-L219 HydrophobicContact CB-CG 4.49Å; L106-L219 HydrophobicContact CD1-CB 4.33Å; L106-Q223 HydrophobicContact CD1-CB 4.09Å
107	V	98.6	Very high	98.3	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.006	16%	0.162	C	C	.	.	H	α-helix	trans	-64.7	-42.8	172.6	173.9	0	0	0	0	110.4	L103 A104 D110 R111 L114 L134 I138 L141 I216 L219	L103-V107 HydrophobicContact CD1-CG2 4.47Å; L103-V107 WeakPolarHBondContact O-CG2 3.31Å; L103-V107 PolarHBondContact O-N 2.9Å; A104-V107 PolarHBondContact O-N 2.79Å; V107-D110 CarbonylContact O-C 3.52Å; V107-D110 PolarHBondContact O-N 3.21Å; V107-R111 VanDerWaalsContact O-CA 3.28Å; V107-R111 WeakPolarHBondContact O-CA 3.38Å; V107-R111 PolarHBondContact O-N 2.91Å; V107-L114 HydrophobicContact CB-CD1 4.41Å; V107-L114 HydrophobicContact CG1-CD1 3.9Å; V107-L114 HydrophobicContact CG2-CD1 4.45Å; V107-L134 HydrophobicContact CG1-CD1 3.66Å; V107-I138 HydrophobicContact CB-CG1 4.17Å; V107-I138 HydrophobicContact CG1-CD1 4.09Å; V107-I138 HydrophobicContact CG1-CG1 3.62Å; V107-L141 HydrophobicContact CG2-CD1 4.18Å; V107-I216 HydrophobicContact CG2-CD1 3.64Å; V107-L219 HydrophobicContact CG2-CD1 3.93Å
108	E	98.6	Very high	98.3	Very high	83 Å²	83	36.4 Å²	36.4	39%	0.388	16%	0.161	S	C	.	.	H	α-helix	trans	-62.4	-43	174.9	-171	67.8	-130.8	0	0	111.6	A104 D110 R111 I138	A104-E108 PolarHBondContact O-N 3.08Å; E108-D110 VanDerWaalsContact C-N 3.31Å; E108-D110 PolarHBondContact O-N 3.06Å; E108-R111 WeakPolarHBondContact O-CB 3.47Å; E108-R111 PolarHBondContact O-N 2.75Å; E108-R111 VanDerWaalsContact OE1-CD 3.23Å; E108-R111 WeakPolarHBondContact OE1-CD 2.95Å; E108-R111 IonicContact OE1-CZ 2.77Å; E108-R111 IonicContact OE1-NH1 3.85Å; E108-R111 PolarHBondContact OE1-NH1 3.19Å; E108-R111 IonicContact OE2-NH1 2.77Å; E108-R111 PolarHBondContact OE2-NH1 3.48Å; E108-I138 HydrophobicContact CB-CD1 4.26Å; E108-I138 WeakPolarHBondContact OE2-CD1 3.46Å
109	R	98.1	Very high	98.4	Very high	118 Å²	118	29.2 Å²	29.2	45%	0.445	13%	0.134	S	C	.	.	H	α-helix	trans	-56.4	-45.4	174.6	-175.2	-160.6	70.2	-164.5	-6.7	111.7	D105 L106 R111 E222	D105-R109 WeakPolarHBondContact O-CB 3.45Å; D105-R109 PolarHBondContact O-N 3.44Å; L106-R109 WeakPolarHBondContact O-CB 3.14Å; L106-R109 PolarHBondContact O-N 3.03Å; R109-R111 VanDerWaalsContact C-N 3.34Å; R109-E222 IonicContact CZ-OE1 3.08Å; R109-E222 IonicContact CZ-OE2 3.73Å; R109-E222 VanDerWaalsContact NH1-CD 3.25Å; R109-E222 IonicContact NH1-OE1 3.58Å; R109-E222 PolarHBondContact NH1-OE1 3.07Å; R109-E222 IonicContact NH1-OE2 3.15Å; R109-E222 PolarHBondContact NH1-OE2 3.27Å; R109-E222 IonicContact NH2-OE2 2.72Å; R109-E222 PolarHBondContact NH2-OE2 2.97Å
110	D	98.4	Very high	98.4	Very high	26 Å²	26	30.5 Å²	30.5	14%	0.139	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93	10.2	-176.8	-72.8	11.1	0	0	0	113	L106 V107 E108 K112 L113 L114 H215 L219	L106-D110 PolarHBondContact O-N 3Å; V107-D110 CarbonylContact O-C 3.52Å; V107-D110 PolarHBondContact O-N 3.21Å; E108-D110 VanDerWaalsContact C-N 3.31Å; E108-D110 PolarHBondContact O-N 3.06Å; D110-K112 VanDerWaalsContact C-N 3.3Å; D110-K112 PolarHBondContact O-N 2.96Å; D110-K112 VanDerWaalsContact O-N 3.14Å; D110-L113 WeakPolarHBondContact O-CA 3.27Å; D110-L113 WeakPolarHBondContact O-CB 3.35Å; D110-L113 PolarHBondContact O-N 2.78Å; D110-L114 HydrophobicContact CB-CD1 4.25Å; D110-L114 HydrophobicContact CB-CG 4.44Å; D110-L114 PolarHBondContact O-N 3.13Å; D110-H215 IonicContact OD2-CE1 3.88Å; D110-H215 IonicContact OD2-NE2 3.06Å; D110-H215 PolarHBondContact OD2-NE2 3.13Å; D110-L219 WeakPolarHBondContact OD2-CD2 3.5Å
111	R	98.6	Very high	98.4	Very high	18 Å²	18	30.5 Å²	30.5	7%	0.068	14%	0.14	C	C	.	.	H	α-helix	trans	-53	-43.3	-169.2	-173.2	178.4	177	156.3	3	113.6	V107 E108 R109 A115 F130 L134 E135 I138	V107-R111 VanDerWaalsContact O-CA 3.28Å; V107-R111 WeakPolarHBondContact O-CA 3.38Å; V107-R111 PolarHBondContact O-N 2.91Å; E108-R111 WeakPolarHBondContact O-CB 3.47Å; E108-R111 PolarHBondContact O-N 2.75Å; E108-R111 VanDerWaalsContact OE1-CD 3.23Å; E108-R111 WeakPolarHBondContact OE1-CD 2.95Å; E108-R111 IonicContact OE1-CZ 2.77Å; E108-R111 IonicContact OE1-NH1 3.85Å; E108-R111 PolarHBondContact OE1-NH1 3.19Å; E108-R111 IonicContact OE2-NH1 2.77Å; E108-R111 PolarHBondContact OE2-NH1 3.48Å; R109-R111 VanDerWaalsContact C-N 3.34Å; R111-A115 VanDerWaalsContact O-CB 3.25Å; R111-A115 WeakPolarHBondContact O-CB 3.48Å; R111-A115 PolarHBondContact O-N 3.4Å; R111-F130 HydrophobicContact CB-CE2 4.12Å; R111-F130 HydrophobicContact CG-CD2 3.88Å; R111-F130 HydrophobicContact CG-CE2 3.52Å; R111-F130 HydrophobicContact CG-CZ 4.01Å; R111-F130 PolarHBondContact NE-O 2.88Å; R111-F130 VanDerWaalsContact NE-O 3.15Å; R111-F130 PolarHBondContact NH2-O 3.36Å; R111-L134 HydrophobicContact CG-CB 3.87Å; R111-L134 HydrophobicContact CG-CD1 4.33Å; R111-L134 HydrophobicContact CG-CG 3.95Å; R111-E135 IonicContact CZ-OE2 2.59Å; R111-E135 VanDerWaalsContact CZ-OE2 3.3Å; R111-E135 IonicContact NH1-OE2 2.66Å; R111-E135 PolarHBondContact NH1-OE2 3.43Å; R111-E135 IonicContact NH2-OE2 2.65Å; R111-E135 PolarHBondContact NH2-OE2 2.77Å; R111-I138 HydrophobicContact CG-CD1 4.42Å
112	K	98.2	Very high	98.4	Very high	110 Å²	110	27.7 Å²	27.7	48%	0.478	13%	0.128	S	C	.	.	H	α-helix	trans	-63.4	-43.8	176.9	-72	-172.6	-71.3	-177.6	0	112.2	V24 D110 T116 F130	V24-K112 HydrophobicContact CG1-CB 4.1Å; D110-K112 VanDerWaalsContact C-N 3.3Å; D110-K112 PolarHBondContact O-N 2.96Å; D110-K112 VanDerWaalsContact O-N 3.14Å; K112-T116 PolarHBondContact O-N 3.46Å; K112-T116 PolarHBondContact O-OG1 3.02Å; K112-F130 HydrophobicContact CG-CD2 4.32Å; K112-F130 HydrophobicContact CG-CE2 3.64Å
113	L	98.4	Very high	98.4	Very high	55 Å²	55	25.5 Å²	25.5	29%	0.288	12%	0.118	S	C	.	.	H	α-helix	trans	-65.4	-46.6	178.8	173.4	63.2	0	0	0	111.2	V24 I26 D110 T116 L117 H215	V24-L113 HydrophobicContact CG2-CB 4.24Å; V24-L113 HydrophobicContact CG2-CD1 3.88Å; I26-L113 HydrophobicContact CD1-CD1 3.9Å; I26-L113 HydrophobicContact CG1-CD1 4.1Å; D110-L113 WeakPolarHBondContact O-CA 3.27Å; D110-L113 WeakPolarHBondContact O-CB 3.35Å; D110-L113 PolarHBondContact O-N 2.78Å; L113-T116 PolarHBondContact O-N 3.42Å; L113-L117 HydrophobicContact CD1-CD1 4.43Å; L113-L117 HydrophobicContact CD1-CG 4.47Å; L113-L117 HydrophobicContact CG-CD1 4.37Å; L113-L117 PolarHBondContact O-N 3.35Å; L113-H215 VanDerWaalsContact CD2-CE1 3.41Å; L113-H215 WeakPolarHBondContact CD2-CE1 3.33Å
114	L	98.8	Very high	98.4	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-63.2	-42.9	177.9	-77	168.4	0	0	0	111.7	V107 D110 T116 L117 E118 L134 L184 T212 H215 I216 L219	V107-L114 HydrophobicContact CB-CD1 4.41Å; V107-L114 HydrophobicContact CG1-CD1 3.9Å; V107-L114 HydrophobicContact CG2-CD1 4.45Å; D110-L114 HydrophobicContact CB-CD1 4.25Å; D110-L114 HydrophobicContact CB-CG 4.44Å; D110-L114 PolarHBondContact O-N 3.13Å; L114-T116 VanDerWaalsContact C-N 3.34Å; L114-T116 PolarHBondContact O-N 3.17Å; L114-L117 PolarHBondContact O-N 2.81Å; L114-E118 WeakPolarHBondContact O-CB 3.35Å; L114-E118 PolarHBondContact O-N 3.11Å; L114-L134 HydrophobicContact CB-CD1 3.86Å; L114-L134 HydrophobicContact CB-CD2 4.36Å; L114-L134 HydrophobicContact CB-CG 4.38Å; L114-L134 HydrophobicContact CD1-CD1 4.08Å; L114-L184 HydrophobicContact CB-CD2 4.24Å; L114-L184 HydrophobicContact CD1-CD2 4.28Å; L114-L184 HydrophobicContact CD2-CD2 4.35Å; L114-T212 HydrophobicContact CD2-CG2 4.22Å; L114-H215 HydrophobicContact CD2-CB 3.84Å; L114-I216 HydrophobicContact CD1-CD1 4.22Å; L114-L219 HydrophobicContact CD1-CD1 4.43Å
115	A	98.8	Very high	98.4	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-63.2	-39.5	175.7	0	0	0	0	0	112.1	R111 E118 T119 F126 A129 F130 L134	R111-A115 VanDerWaalsContact O-CB 3.25Å; R111-A115 WeakPolarHBondContact O-CB 3.48Å; R111-A115 PolarHBondContact O-N 3.4Å; A115-E118 PolarHBondContact O-N 2.95Å; A115-T119 WeakPolarHBondContact O-CB 3.24Å; A115-T119 PolarHBondContact O-N 3.4Å; A115-T119 PolarHBondContact O-OG1 2.72Å; A115-F126 HydrophobicContact CB-CD2 4.06Å; A115-F126 HydrophobicContact CB-CE2 3.64Å; A115-F126 HydrophobicContact CB-CZ 4.38Å; A115-A129 HydrophobicContact CB-CB 4.23Å; A115-F130 HydrophobicContact CB-CB 3.92Å; A115-F130 HydrophobicContact CB-CD2 4.02Å; A115-F130 HydrophobicContact CB-CG 4.48Å; A115-L134 HydrophobicContact CB-CD2 4.08Å; A115-L134 HydrophobicContact CB-CG 4.45Å
116	T	98.6	Very high	98.4	Very high	2 Å²	2	22.2 Å²	22.2	1%	0.012	10%	0.101	C	C	.	.	H	α-helix	trans	-65.1	-44.5	173.7	-57.6	0	0	0	0	112	P23 V24 I26 K112 L113 L114 T119 L120 F126 L354	P23-T116 WeakPolarHBondContact CA-OG1 3.43Å; P23-T116 HydrophobicContact CB-CG2 4.27Å; V24-T116 HydrophobicContact CG2-CG2 4.43Å; V24-T116 PolarHBondContact N-OG1 3.09Å; V24-T116 WeakPolarHBondContact O-CG2 3.13Å; I26-T116 HydrophobicContact CD1-CG2 3.79Å; I26-T116 HydrophobicContact CG1-CG2 4.08Å; K112-T116 PolarHBondContact O-N 3.46Å; K112-T116 PolarHBondContact O-OG1 3.02Å; L113-T116 PolarHBondContact O-N 3.42Å; L114-T116 VanDerWaalsContact C-N 3.34Å; L114-T116 PolarHBondContact O-N 3.17Å; T116-T119 PolarHBondContact O-N 3.47Å; T116-L120 HydrophobicContact CG2-CD1 4.24Å; T116-L120 HydrophobicContact CG2-CG 4.39Å; T116-L120 WeakPolarHBondContact O-CG 3.14Å; T116-L120 PolarHBondContact O-N 2.76Å; T116-F126 WeakPolarHBondContact OG1-CE2 3.31Å; T116-L354 HydrophobicContact CG2-CD2 4.21Å
117	L	98.4	Very high	98.4	Very high	8 Å²	8	23.7 Å²	23.7	4%	0.042	11%	0.108	C	C	.	.	H	α-helix	trans	-60.2	-46.2	175.6	-79	172.6	0	0	0	111.5	I26 V29 L113 L114 T119 L120 D121 L211 T212 H215	I26-L117 HydrophobicContact CD1-CD2 3.46Å; I26-L117 VanDerWaalsContact CD1-CD2 3.46Å; I26-L117 HydrophobicContact CD1-CG 3.59Å; V29-L117 HydrophobicContact CG2-CD2 4.29Å; L113-L117 HydrophobicContact CD1-CD1 4.43Å; L113-L117 HydrophobicContact CD1-CG 4.47Å; L113-L117 HydrophobicContact CG-CD1 4.37Å; L113-L117 PolarHBondContact O-N 3.35Å; L114-L117 PolarHBondContact O-N 2.81Å; L117-T119 VanDerWaalsContact C-N 3.3Å; L117-T119 PolarHBondContact O-N 3.46Å; L117-L120 PolarHBondContact O-N 3.07Å; L117-D121 WeakPolarHBondContact O-CB 3.38Å; L117-D121 PolarHBondContact O-N 2.86Å; L117-L211 HydrophobicContact CD2-CD1 4.45Å; L117-T212 HydrophobicContact CB-CG2 3.62Å; L117-H215 HydrophobicContact CD1-CB 4.32Å
118	E	98.8	Very high	98.4	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-57.7	-45.1	177.7	-161.3	83.3	163.4	0	0	110.5	L114 A115 T122 A129 P183 L184 T212	L114-E118 WeakPolarHBondContact O-CB 3.35Å; L114-E118 PolarHBondContact O-N 3.11Å; A115-E118 PolarHBondContact O-N 2.95Å; E118-T122 HydrophobicContact CG-CG2 4.4Å; E118-T122 VanDerWaalsContact O-CB 3.23Å; E118-T122 WeakPolarHBondContact O-CB 3.44Å; E118-T122 WeakPolarHBondContact O-CG2 3.39Å; E118-T122 PolarHBondContact O-N 2.89Å; E118-T122 PolarHBondContact O-OG1 3.14Å; E118-A129 HydrophobicContact CB-CB 4.25Å; E118-A129 HydrophobicContact CG-CB 4.42Å; E118-P183 WeakPolarHBondContact OE1-CD 3.43Å; E118-L184 WeakPolarHBondContact OE1-CB 3.47Å; E118-L184 PolarHBondContact OE1-N 2.65Å; E118-T212 HydrophobicContact CB-CG2 4.12Å; E118-T212 WeakPolarHBondContact OE2-CB 3.38Å; E118-T212 WeakPolarHBondContact OE2-CG2 3.07Å; E118-T212 PolarHBondContact OE2-OG1 3.36Å
119	T	98.8	Very high	98.4	Very high	2 Å²	2	21.4 Å²	21.4	1%	0.012	10%	0.098	C	C	.	.	H	α-helix	trans	-63.9	-43.4	176.8	-72.9	0	0	0	0	113	A115 T116 L117 G123 K124 F126 P353 L354	A115-T119 WeakPolarHBondContact O-CB 3.24Å; A115-T119 PolarHBondContact O-N 3.4Å; A115-T119 PolarHBondContact O-OG1 2.72Å; T116-T119 PolarHBondContact O-N 3.47Å; L117-T119 VanDerWaalsContact C-N 3.3Å; L117-T119 PolarHBondContact O-N 3.46Å; T119-G123 VanDerWaalsContact O-CA 3.31Å; T119-G123 WeakPolarHBondContact O-CA 3.42Å; T119-G123 PolarHBondContact O-N 3.25Å; T119-K124 VanDerWaalsContact CB-O 3.29Å; T119-K124 WeakPolarHBondContact CB-O 3.5Å; T119-K124 WeakPolarHBondContact CG2-O 3.49Å; T119-K124 PolarHBondContact OG1-O 2.95Å; T119-F126 HydrophobicContact CG2-CB 4.47Å; T119-F126 WeakPolarHBondContact OG1-CA 3.49Å; T119-F126 PolarHBondContact OG1-N 2.94Å; T119-P353 HydrophobicContact CG2-CB 3.51Å; T119-L354 HydrophobicContact CG2-CD2 3.53Å; T119-L354 HydrophobicContact CG2-CG 4.08Å
120	L	98.1	Very high	98.4	Very high	30 Å²	30	17 Å²	17	16%	0.157	8%	0.082	C	C	.	.	H	α-helix	trans	-64.4	-41.5	179.4	-72.3	176.5	0	0	0	112.2	I26 N53 P54 I60 T116 L117 L354	I26-L120 HydrophobicContact CB-CD1 4.49Å; I26-L120 HydrophobicContact CD1-CD1 3.89Å; I26-L120 HydrophobicContact CG1-CD1 4.47Å; N53-L120 WeakPolarHBondContact CA-O 3.34Å; N53-L120 PolarHBondContact OD1-O 2.95Å; P54-L120 WeakPolarHBondContact CD-O 3.43Å; I60-L120 HydrophobicContact CD1-CB 4.34Å; I60-L120 WeakPolarHBondContact CD1-O 3.27Å; T116-L120 HydrophobicContact CG2-CD1 4.24Å; T116-L120 HydrophobicContact CG2-CG 4.39Å; T116-L120 WeakPolarHBondContact O-CG 3.14Å; T116-L120 PolarHBondContact O-N 2.76Å; L117-L120 PolarHBondContact O-N 3.07Å; L120-L354 HydrophobicContact CD2-CD1 4.06Å
121	D	97.9	Very high	98.4	Very high	1 Å²	1	20.5 Å²	20.5	1%	0.005	10%	0.096	C	C	.	.	H	α-helix	trans	-79.6	-26.4	-176.6	-131.9	18	0	0	0	112	T51 I60 L117 T209 L211	T51-D121 PolarHBondContact OG1-OD1 3.14Å; I60-D121 WeakPolarHBondContact CD1-OD1 3.44Å; L117-D121 WeakPolarHBondContact O-CB 3.38Å; L117-D121 PolarHBondContact O-N 2.86Å; D121-T209 HydrophobicContact CB-CG2 4.35Å; D121-T209 WeakPolarHBondContact OD2-CA 3.27Å; D121-L211 VanDerWaalsContact OD2-CB 3.31Å; D121-L211 WeakPolarHBondContact OD2-CB 3.45Å; D121-L211 WeakPolarHBondContact OD2-CG 3.24Å; D121-L211 PolarHBondContact OD2-N 2.62Å; D121-L211 VanDerWaalsContact OD2-N 3.07Å
122	T	98.6	Very high	98.3	Very high	3 Å²	3	22.7 Å²	22.7	2%	0.018	11%	0.111	C	C	.	.	H	α-helix	trans	-112.5	-20.4	-172.5	69	0	0	0	0	115.3	P54 E118 K124 P183 T209	P54-T122 VanDerWaalsContact CG-C 3.44Å; E118-T122 HydrophobicContact CG-CG2 4.4Å; E118-T122 VanDerWaalsContact O-CB 3.23Å; E118-T122 WeakPolarHBondContact O-CB 3.44Å; E118-T122 WeakPolarHBondContact O-CG2 3.39Å; E118-T122 PolarHBondContact O-N 2.89Å; E118-T122 PolarHBondContact O-OG1 3.14Å; T122-K124 PolarHBondContact O-N 3.45Å; T122-K124 WeakPolarHBondContact OG1-CB 3.43Å; T122-K124 PolarHBondContact OG1-N 3.25Å; T122-K124 VanDerWaalsContact OG1-N 3.15Å; T122-P183 HydrophobicContact CG2-CG 3.53Å; T122-T209 HydrophobicContact CG2-CG2 3.57Å
123	G	98.1	Very high	98.3	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.089	C	C	.	.			trans	75.9	0.3	-170.1	0	0	0	0	0	115	T119 P353 G361 P362	T119-G123 VanDerWaalsContact O-CA 3.31Å; T119-G123 WeakPolarHBondContact O-CA 3.42Å; T119-G123 PolarHBondContact O-N 3.25Å; G123-P353 WeakPolarHBondContact O-CB 3.41Å; G123-P353 WeakPolarHBondContact O-CG 3.4Å; G123-G361 WeakPolarHBondContact O-CA 3.42Å; G123-P362 WeakPolarHBondContact O-CD 3.23Å
124	K	97.8	Very high	98.4	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.075	C	C	.	.			trans	-66.4	138.7	177.1	175.2	175.1	26.5	-114.5	0	111.3	T119 T122 F126 Q128 A129 D133 N181 N316	T119-K124 VanDerWaalsContact CB-O 3.29Å; T119-K124 WeakPolarHBondContact CB-O 3.5Å; T119-K124 WeakPolarHBondContact CG2-O 3.49Å; T119-K124 PolarHBondContact OG1-O 2.95Å; T122-K124 PolarHBondContact O-N 3.45Å; T122-K124 WeakPolarHBondContact OG1-CB 3.43Å; T122-K124 PolarHBondContact OG1-N 3.25Å; T122-K124 VanDerWaalsContact OG1-N 3.15Å; K124-F126 PolarHBondContact O-N 2.94Å; K124-Q128 HydrophobicContact CD-CB 4.13Å; K124-Q128 HydrophobicContact CG-CB 3.98Å; K124-A129 HydrophobicContact CD-CB 4.39Å; K124-D133 WeakPolarHBondContact CD-OD1 3.5Å; K124-D133 VanDerWaalsContact CE-CG 3.41Å; K124-D133 WeakPolarHBondContact CE-OD2 3.27Å; K124-D133 IonicContact NZ-OD1 3.25Å; K124-D133 IonicContact NZ-OD2 3.35Å; K124-D133 PolarHBondContact NZ-OD2 3.08Å; K124-N181 PolarHBondContact NZ-O 3.38Å; K124-N181 VanDerWaalsContact NZ-O 3.14Å; K124-N316 WeakPolarHBondContact CD-OD1 3.43Å; K124-N316 PolarHBondContact NZ-OD1 2.83Å
125	P	98.6	Very high	98.3	Very high	2 Å²	2	17.3 Å²	17.3	1%	0.013	9%	0.086	C	C	.	.			trans	-52	133.8	175.4	-28.5	34.6	0	0	0	113.2	L127 Q128 A129 P353 T358	P125-L127 VanDerWaalsContact C-N 3.29Å; P125-L127 PolarHBondContact O-N 2.81Å; P125-Q128 HydrophobicContact CB-CB 4.44Å; P125-Q128 HydrophobicContact CB-CG 4.14Å; P125-Q128 WeakPolarHBondContact O-CA 3.36Å; P125-Q128 WeakPolarHBondContact O-CB 3.29Å; P125-Q128 PolarHBondContact O-N 3.2Å; P125-A129 PolarHBondContact O-N 3.17Å; P125-P353 CarbonylContact C-O 3.41Å; P125-P353 WeakPolarHBondContact CA-O 3.4Å; P125-T358 HydrophobicContact CG-CG2 4.24Å
126	F	98.6	Very high	98.3	Very high	4 Å²	4	18.1 Å²	18.1	2%	0.018	10%	0.095	C	C	.	.	H	α-helix	trans	-53.9	-42.6	-174.7	170.6	-97.5	0	0	0	113.3	P21 P23 A115 T116 T119 K124 Q128 A129 F130 P353 L354	P21-F126 HydrophobicContact CB-CE1 4.12Å; P21-F126 HydrophobicContact CB-CZ 4.39Å; P21-F126 HydrophobicContact CG-CE1 4.19Å; P21-F126 VanDerWaalsContact O-CE1 3.27Å; P21-F126 WeakPolarHBondContact O-CE1 3.4Å; P23-F126 HydrophobicContact CB-CD2 3.94Å; P23-F126 HydrophobicContact CB-CE2 4.07Å; P23-F126 HydrophobicContact CB-CG 4.17Å; P23-F126 HydrophobicContact CB-CZ 4.46Å; A115-F126 HydrophobicContact CB-CD2 4.06Å; A115-F126 HydrophobicContact CB-CE2 3.64Å; A115-F126 HydrophobicContact CB-CZ 4.38Å; T116-F126 WeakPolarHBondContact OG1-CE2 3.31Å; T119-F126 HydrophobicContact CG2-CB 4.47Å; T119-F126 WeakPolarHBondContact OG1-CA 3.49Å; T119-F126 PolarHBondContact OG1-N 2.94Å; K124-F126 PolarHBondContact O-N 2.94Å; F126-Q128 VanDerWaalsContact C-N 3.28Å; F126-Q128 PolarHBondContact O-N 2.87Å; F126-A129 PolarHBondContact O-N 3.47Å; F126-F130 HydrophobicContact CE1-CB 4.45Å; F126-F130 HydrophobicContact CZ-CB 4.4Å; F126-F130 HydrophobicContact CZ-CD2 4.13Å; F126-F130 WeakPolarHBondContact O-CB 3.44Å; F126-F130 PolarHBondContact O-N 2.88Å; F126-P353 PolarHBondContact N-O 2.59Å; F126-L354 HydrophobicContact CB-CD2 4.43Å
127	L	98.3	Very high	98.4	Very high	35 Å²	35	18 Å²	18	18%	0.183	9%	0.094	C	C	.	.	H	α-helix	trans	-66	-32.4	179	-61	-179.5	0	0	0	112	L20 P21 P125 F131 P356	L20-L127 HydrophobicContact CB-CD2 4.4Å; L20-L127 HydrophobicContact CD1-CD1 3.99Å; P21-L127 HydrophobicContact CG-CD2 4.12Å; P125-L127 VanDerWaalsContact C-N 3.29Å; P125-L127 PolarHBondContact O-N 2.81Å; L127-F131 HydrophobicContact CB-CD2 4.26Å; L127-F131 HydrophobicContact CD2-CE2 4.05Å; L127-F131 WeakPolarHBondContact O-CB 3.38Å; L127-F131 VanDerWaalsContact O-CD2 3.3Å; L127-F131 WeakPolarHBondContact O-CD2 3.33Å; L127-F131 PolarHBondContact O-N 3.39Å; L127-P356 HydrophobicContact CD1-CB 4.12Å; L127-P356 WeakPolarHBondContact CD1-O 3.41Å
128	Q	97.9	Very high	98.4	Very high	36 Å²	36	18.1 Å²	18.1	17%	0.168	10%	0.095	C	C	.	.	H	α-helix	trans	-69.5	-45.9	173.8	-64.9	179.2	20.9	0	0	110.6	K124 P125 F126 F130 T132 D133 Y315 T359	K124-Q128 HydrophobicContact CD-CB 4.13Å; K124-Q128 HydrophobicContact CG-CB 3.98Å; P125-Q128 HydrophobicContact CB-CB 4.44Å; P125-Q128 HydrophobicContact CB-CG 4.14Å; P125-Q128 WeakPolarHBondContact O-CA 3.36Å; P125-Q128 WeakPolarHBondContact O-CB 3.29Å; P125-Q128 PolarHBondContact O-N 3.2Å; F126-Q128 VanDerWaalsContact C-N 3.28Å; F126-Q128 PolarHBondContact O-N 2.87Å; Q128-F130 VanDerWaalsContact C-N 3.3Å; Q128-F130 PolarHBondContact O-N 2.89Å; Q128-T132 WeakPolarHBondContact O-CA 3.3Å; Q128-T132 VanDerWaalsContact O-CB 3.24Å; Q128-T132 WeakPolarHBondContact O-CB 3.37Å; Q128-T132 PolarHBondContact O-N 3.41Å; Q128-D133 PolarHBondContact O-N 3.2Å; Q128-Y315 HydrophobicContact CB-CE2 4.46Å; Q128-Y315 HydrophobicContact CG-CE2 4.39Å; Q128-T359 PolarHBondContact NE2-O 2.97Å
129	A	98.6	Very high	98.4	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.117	C	C	.	.	I	π-helix	trans	-58.7	-42.7	175.3	0	0	0	0	0	111.6	A115 E118 K124 P125 F126 D133 L134	A115-A129 HydrophobicContact CB-CB 4.23Å; E118-A129 HydrophobicContact CB-CB 4.25Å; E118-A129 HydrophobicContact CG-CB 4.42Å; K124-A129 HydrophobicContact CD-CB 4.39Å; P125-A129 PolarHBondContact O-N 3.17Å; F126-A129 PolarHBondContact O-N 3.47Å; A129-D133 WeakPolarHBondContact O-CB 3.32Å; A129-D133 PolarHBondContact O-N 2.96Å; A129-L134 WeakPolarHBondContact O-CD2 3.11Å; A129-L134 PolarHBondContact O-N 3.08Å
130	F	98.7	Very high	98.4	Very high	26 Å²	26	23 Å²	23	11%	0.114	12%	0.116	C	C	.	.	I	π-helix	trans	-71	-49.5	-178.1	-171.9	-85.7	0	0	0	113.4	P21 R111 K112 A115 F126 Q128	P21-F130 HydrophobicContact CB-CD1 4.29Å; P21-F130 HydrophobicContact CB-CD2 4.24Å; P21-F130 HydrophobicContact CB-CE1 4.12Å; P21-F130 HydrophobicContact CB-CE2 4.06Å; P21-F130 HydrophobicContact CB-CG 4.36Å; P21-F130 HydrophobicContact CB-CZ 3.99Å; P21-F130 HydrophobicContact CG-CD1 3.62Å; P21-F130 HydrophobicContact CG-CD2 4.31Å; P21-F130 HydrophobicContact CG-CE1 3.74Å; P21-F130 HydrophobicContact CG-CE2 4.41Å; P21-F130 HydrophobicContact CG-CG 3.92Å; P21-F130 HydrophobicContact CG-CZ 4.14Å; R111-F130 HydrophobicContact CB-CE2 4.12Å; R111-F130 HydrophobicContact CG-CD2 3.88Å; R111-F130 HydrophobicContact CG-CE2 3.52Å; R111-F130 HydrophobicContact CG-CZ 4.01Å; R111-F130 PolarHBondContact NE-O 2.88Å; R111-F130 VanDerWaalsContact NE-O 3.15Å; R111-F130 PolarHBondContact NH2-O 3.36Å; K112-F130 HydrophobicContact CG-CD2 4.32Å; K112-F130 HydrophobicContact CG-CE2 3.64Å; A115-F130 HydrophobicContact CB-CB 3.92Å; A115-F130 HydrophobicContact CB-CD2 4.02Å; A115-F130 HydrophobicContact CB-CG 4.48Å; F126-F130 HydrophobicContact CE1-CB 4.45Å; F126-F130 HydrophobicContact CZ-CB 4.4Å; F126-F130 HydrophobicContact CZ-CD2 4.13Å; F126-F130 WeakPolarHBondContact O-CB 3.44Å; F126-F130 PolarHBondContact O-N 2.88Å; Q128-F130 VanDerWaalsContact C-N 3.3Å; Q128-F130 PolarHBondContact O-N 2.89Å
131	F	98.3	Very high	98.4	Very high	98 Å²	98	21.6 Å²	21.6	43%	0.43	11%	0.109	S	C	.	.	I	π-helix	trans	-88.9	-17	-173.1	-69.6	-61.9	0	0	0	114.2	L20 P21 L127 E135	L20-F131 HydrophobicContact CD2-CE2 4.28Å; P21-F131 HydrophobicContact CG-CE2 3.94Å; P21-F131 HydrophobicContact CG-CZ 3.74Å; L127-F131 HydrophobicContact CB-CD2 4.26Å; L127-F131 HydrophobicContact CD2-CE2 4.05Å; L127-F131 WeakPolarHBondContact O-CB 3.38Å; L127-F131 VanDerWaalsContact O-CD2 3.3Å; L127-F131 WeakPolarHBondContact O-CD2 3.33Å; L127-F131 PolarHBondContact O-N 3.39Å; F131-E135 WeakPolarHBondContact O-CB 3.38Å
132	T	97	Very high	98.5	Very high	65 Å²	65	25.2 Å²	25.2	40%	0.399	13%	0.125	S	C	.	.	I	π-helix	trans	-114.1	-64.1	-179.9	-49.8	0	0	0	0	112.1	Q128 E135 G136 Y315	Q128-T132 WeakPolarHBondContact O-CA 3.3Å; Q128-T132 VanDerWaalsContact O-CB 3.24Å; Q128-T132 WeakPolarHBondContact O-CB 3.37Å; Q128-T132 PolarHBondContact O-N 3.41Å; T132-E135 PolarHBondContact O-N 3.05Å; T132-G136 PolarHBondContact O-N 2.75Å; T132-Y315 WeakPolarHBondContact CB-OH 3.1Å; T132-Y315 WeakPolarHBondContact CG2-OH 3.43Å
133	D	98.4	Very high	98.5	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.132	C	C	.	.	I	π-helix	trans	-64.8	-50.2	-172.2	-61.7	51.3	0	0	0	111.9	K124 Q128 A129 G136 S137 F182	K124-D133 WeakPolarHBondContact CD-OD1 3.5Å; K124-D133 VanDerWaalsContact CE-CG 3.41Å; K124-D133 WeakPolarHBondContact CE-OD2 3.27Å; K124-D133 IonicContact NZ-OD1 3.25Å; K124-D133 IonicContact NZ-OD2 3.35Å; K124-D133 PolarHBondContact NZ-OD2 3.08Å; Q128-D133 PolarHBondContact O-N 3.2Å; A129-D133 WeakPolarHBondContact O-CB 3.32Å; A129-D133 PolarHBondContact O-N 2.96Å; D133-G136 PolarHBondContact O-N 2.89Å; D133-S137 VanDerWaalsContact O-CB 3.31Å; D133-S137 WeakPolarHBondContact O-CB 3.21Å; D133-S137 PolarHBondContact O-N 2.92Å; D133-S137 PolarHBondContact O-OG 3.31Å; D133-F182 VanDerWaalsContact OD2-CD1 3.27Å; D133-F182 WeakPolarHBondContact OD2-CD1 3.09Å
134	L	98.6	Very high	98.5	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-68	-41.6	178.7	-92.6	-63.1	0	0	0	111.7	V107 R111 L114 A115 A129 G136 S137 I138 L184	V107-L134 HydrophobicContact CG1-CD1 3.66Å; R111-L134 HydrophobicContact CG-CB 3.87Å; R111-L134 HydrophobicContact CG-CD1 4.33Å; R111-L134 HydrophobicContact CG-CG 3.95Å; L114-L134 HydrophobicContact CB-CD1 3.86Å; L114-L134 HydrophobicContact CB-CD2 4.36Å; L114-L134 HydrophobicContact CB-CG 4.38Å; L114-L134 HydrophobicContact CD1-CD1 4.08Å; A115-L134 HydrophobicContact CB-CD2 4.08Å; A115-L134 HydrophobicContact CB-CG 4.45Å; A129-L134 WeakPolarHBondContact O-CD2 3.11Å; A129-L134 PolarHBondContact O-N 3.08Å; L134-G136 PolarHBondContact O-N 3.46Å; L134-S137 WeakPolarHBondContact O-CB 3.36Å; L134-S137 PolarHBondContact O-N 2.91Å; L134-I138 WeakPolarHBondContact O-CB 3.45Å; L134-I138 VanDerWaalsContact O-CD1 3.22Å; L134-I138 WeakPolarHBondContact O-CD1 3.26Å; L134-I138 VanDerWaalsContact O-CG1 3.27Å; L134-I138 WeakPolarHBondContact O-CG1 3.29Å; L134-I138 PolarHBondContact O-N 3.33Å; L134-L184 HydrophobicContact CD1-CD2 3.41Å; L134-L184 VanDerWaalsContact CD1-CD2 3.41Å; L134-L184 HydrophobicContact CD2-CD2 3.82Å; L134-L184 HydrophobicContact CG-CD2 4.25Å
135	E	98.5	Very high	98.6	Very high	51 Å²	51	27.3 Å²	27.3	24%	0.238	13%	0.134	C	C	.	.	H	α-helix	trans	-58.5	-48.3	176.1	-176.1	61.2	-158.9	0	0	111.5	R111 F131 T132 S137 I138 K139	R111-E135 IonicContact CZ-OE2 2.59Å; R111-E135 VanDerWaalsContact CZ-OE2 3.3Å; R111-E135 IonicContact NH1-OE2 2.66Å; R111-E135 PolarHBondContact NH1-OE2 3.43Å; R111-E135 IonicContact NH2-OE2 2.65Å; R111-E135 PolarHBondContact NH2-OE2 2.77Å; F131-E135 WeakPolarHBondContact O-CB 3.38Å; T132-E135 PolarHBondContact O-N 3.05Å; E135-S137 VanDerWaalsContact C-N 3.33Å; E135-S137 PolarHBondContact O-N 3.17Å; E135-I138 PolarHBondContact O-N 3.08Å; E135-K139 HydrophobicContact CG-CD 4.19Å; E135-K139 WeakPolarHBondContact O-CB 3.41Å; E135-K139 WeakPolarHBondContact O-CG 3.4Å; E135-K139 PolarHBondContact O-N 3.13Å; E135-K139 WeakPolarHBondContact OE1-CE 3.31Å; E135-K139 IonicContact OE1-NZ 2.84Å; E135-K139 PolarHBondContact OE1-NZ 2.89Å
136	G	98.7	Very high	98.6	Very high	18 Å²	18	28.5 Å²	28.5	19%	0.186	15%	0.147	C	C	.	.	H	α-helix	trans	-62.7	-39.5	176.3	0	0	0	0	0	112.1	T132 D133 L134 T140	T132-G136 PolarHBondContact O-N 2.75Å; D133-G136 PolarHBondContact O-N 2.89Å; L134-G136 PolarHBondContact O-N 3.46Å; G136-T140 VanDerWaalsContact O-CB 3.29Å; G136-T140 WeakPolarHBondContact O-CB 3.35Å; G136-T140 PolarHBondContact O-N 2.86Å; G136-T140 PolarHBondContact O-OG1 3.41Å
137	S	98.8	Very high	98.6	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-62.2	-48.5	177.3	-63.7	0	0	0	0	112.1	D133 L134 E135 T140 L141 L185	D133-S137 VanDerWaalsContact O-CB 3.31Å; D133-S137 WeakPolarHBondContact O-CB 3.21Å; D133-S137 PolarHBondContact O-N 2.92Å; D133-S137 PolarHBondContact O-OG 3.31Å; L134-S137 WeakPolarHBondContact O-CB 3.36Å; L134-S137 PolarHBondContact O-N 2.91Å; E135-S137 VanDerWaalsContact C-N 3.33Å; E135-S137 PolarHBondContact O-N 3.17Å; S137-T140 PolarHBondContact O-N 3.11Å; S137-L141 PolarHBondContact O-N 3.13Å; S137-L141 VanDerWaalsContact O-N 3.09Å; S137-L185 WeakPolarHBondContact OG-CA 3.43Å
138	I	98.9	Very high	98.6	Very high	10 Å²	10	28.9 Å²	28.9	5%	0.051	15%	0.146	C	C	.	.	H	α-helix	trans	-64.3	-47	178.7	-68.6	153	0	0	0	110.5	A104 V107 E108 R111 L134 E135 T140 L141 H142	A104-I138 HydrophobicContact CB-CG2 4.44Å; V107-I138 HydrophobicContact CB-CG1 4.17Å; V107-I138 HydrophobicContact CG1-CD1 4.09Å; V107-I138 HydrophobicContact CG1-CG1 3.62Å; E108-I138 HydrophobicContact CB-CD1 4.26Å; E108-I138 WeakPolarHBondContact OE2-CD1 3.46Å; R111-I138 HydrophobicContact CG-CD1 4.42Å; L134-I138 WeakPolarHBondContact O-CB 3.45Å; L134-I138 VanDerWaalsContact O-CD1 3.22Å; L134-I138 WeakPolarHBondContact O-CD1 3.26Å; L134-I138 VanDerWaalsContact O-CG1 3.27Å; L134-I138 WeakPolarHBondContact O-CG1 3.29Å; L134-I138 PolarHBondContact O-N 3.33Å; E135-I138 PolarHBondContact O-N 3.08Å; I138-T140 VanDerWaalsContact C-N 3.29Å; I138-T140 PolarHBondContact O-N 3.35Å; I138-L141 PolarHBondContact O-N 3.37Å; I138-H142 PolarHBondContact O-CD2 2.96Å; I138-H142 VanDerWaalsContact O-CD2 3.27Å; I138-H142 PolarHBondContact O-N 3.15Å
139	K	98.9	Very high	98.6	Very high	105 Å²	105	30.7 Å²	30.7	46%	0.457	16%	0.157	S	C	.	.	H	α-helix	trans	-58.5	-40.7	175	-79.4	173.8	167.1	146.9	0	112.3	E135 H142 Y143 V480	E135-K139 HydrophobicContact CG-CD 4.19Å; E135-K139 WeakPolarHBondContact O-CB 3.41Å; E135-K139 WeakPolarHBondContact O-CG 3.4Å; E135-K139 PolarHBondContact O-N 3.13Å; E135-K139 WeakPolarHBondContact OE1-CE 3.31Å; E135-K139 IonicContact OE1-NZ 2.84Å; E135-K139 PolarHBondContact OE1-NZ 2.89Å; K139-H142 PolarHBondContact O-N 3.17Å; K139-Y143 VanDerWaalsContact O-CB 3.31Å; K139-Y143 WeakPolarHBondContact O-CB 3.42Å; K139-Y143 PolarHBondContact O-N 2.88Å; K139-V480 HydrophobicContact CB-CG1 3.95Å
140	T	98.9	Very high	98.6	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-64.1	-44.4	179.7	-60.5	0	0	0	0	111	G136 S137 I138 Y143 Y144 M188 A192 V480 L496	G136-T140 VanDerWaalsContact O-CB 3.29Å; G136-T140 WeakPolarHBondContact O-CB 3.35Å; G136-T140 PolarHBondContact O-N 2.86Å; G136-T140 PolarHBondContact O-OG1 3.41Å; S137-T140 PolarHBondContact O-N 3.11Å; I138-T140 VanDerWaalsContact C-N 3.29Å; I138-T140 PolarHBondContact O-N 3.35Å; T140-Y143 PolarHBondContact O-N 2.8Å; T140-Y144 HydrophobicContact CG2-CD2 3.87Å; T140-Y144 HydrophobicContact CG2-CE2 3.98Å; T140-Y144 WeakPolarHBondContact O-CD2 3.46Å; T140-Y144 PolarHBondContact O-N 2.79Å; T140-Y144 VanDerWaalsContact O-N 3.09Å; T140-M188 HydrophobicContact CG2-CB 4.28Å; T140-A192 HydrophobicContact CG2-CB 3.94Å; T140-V480 WeakPolarHBondContact OG1-CG1 3.28Å; T140-L496 HydrophobicContact CG2-CD2 4.33Å
141	L	98.9	Very high	98.6	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-61.5	-44.3	175.4	-73.8	168.9	0	0	0	112.1	L100 L103 A104 V107 S137 I138 G145 M188 L191 A192	L100-L141 HydrophobicContact CD2-CD2 3.91Å; L103-L141 HydrophobicContact CB-CD1 4.48Å; L103-L141 HydrophobicContact CD2-CD1 4.37Å; L103-L141 HydrophobicContact CD2-CD2 3.95Å; L103-L141 HydrophobicContact CG-CD1 4.05Å; L103-L141 HydrophobicContact CG-CD2 4.4Å; A104-L141 HydrophobicContact CB-CB 3.71Å; A104-L141 HydrophobicContact CB-CD1 4.05Å; V107-L141 HydrophobicContact CG2-CD1 4.18Å; S137-L141 PolarHBondContact O-N 3.13Å; S137-L141 VanDerWaalsContact O-N 3.09Å; I138-L141 PolarHBondContact O-N 3.37Å; L141-G145 PolarHBondContact O-N 3.28Å; L141-M188 HydrophobicContact CD1-CG 4.44Å; L141-M188 HydrophobicContact CD1-SD 3.69Å; L141-M188 HydrophobicContact CD2-SD 3.69Å; L141-M188 HydrophobicContact CG-CG 4.31Å; L141-M188 HydrophobicContact CG-SD 3.69Å; L141-L191 HydrophobicContact CD2-CD2 4.44Å; L141-A192 HydrophobicContact CD2-CB 4.17Å
142	H	98.8	Very high	98.6	Very high	76 Å²	76	37.7 Å²	37.7	35%	0.352	19%	0.19	S	C	.	.	H	α-helix	trans	-64.9	-43.7	176.1	-77.6	-68.8	0	0	0	112.4	H101 A104 I138 K139 Y144 G145 G146	H101-H142 AromaticContact CE1-ND1 3.87Å; H101-H142 PolarHBondContact CE1-O 2.78Å; H101-H142 AromaticContact CG-ND1 3.99Å; H101-H142 AromaticContact ND1-CG 3.89Å; H101-H142 AromaticContact ND1-ND1 3.07Å; H101-H142 PolarHBondContact ND1-ND1 2.91Å; A104-H142 WeakPolarHBondContact CB-NE2 3.36Å; I138-H142 PolarHBondContact O-CD2 2.96Å; I138-H142 VanDerWaalsContact O-CD2 3.27Å; I138-H142 PolarHBondContact O-N 3.15Å; K139-H142 PolarHBondContact O-N 3.17Å; H142-Y144 PolarHBondContact O-N 2.65Å; H142-G145 PolarHBondContact O-N 3.28Å; H142-G146 PolarHBondContact O-N 3.47Å; H142-G146 VanDerWaalsContact O-N 3.11Å
143	Y	98.9	Very high	98.6	Very high	43 Å²	43	36.2 Å²	36.2	17%	0.169	19%	0.188	C	C	.	.	H	α-helix	trans	-57.2	-52.3	-180	179.8	-103.2	0	0	0	111.5	K139 T140 G146 W147 V480 Q481 G497 E498	K139-Y143 VanDerWaalsContact O-CB 3.31Å; K139-Y143 WeakPolarHBondContact O-CB 3.42Å; K139-Y143 PolarHBondContact O-N 2.88Å; T140-Y143 PolarHBondContact O-N 2.8Å; Y143-G146 PolarHBondContact O-N 2.84Å; Y143-W147 AromaticContact CD1-CD1 3.93Å; Y143-W147 AromaticContact CE1-CD1 3.57Å; Y143-W147 AromaticContact CE1-NE1 3.32Å; Y143-W147 VanDerWaalsContact CE1-NE1 3.32Å; Y143-W147 AromaticContact CE2-NE1 3.57Å; Y143-W147 AromaticContact CZ-CD1 3.76Å; Y143-W147 AromaticContact CZ-NE1 3.03Å; Y143-W147 PolarHBondContact O-N 2.92Å; Y143-W147 PolarHBondContact OH-NE1 3.38Å; Y143-V480 HydrophobicContact CD1-CB 4.37Å; Y143-V480 WeakPolarHBondContact CD1-O 2.87Å; Y143-V480 HydrophobicContact CD2-CG2 3.92Å; Y143-V480 VanDerWaalsContact CE1-O 3.22Å; Y143-V480 WeakPolarHBondContact CE1-O 3.27Å; Y143-V480 HydrophobicContact CG-CB 4.07Å; Y143-V480 HydrophobicContact CG-CG2 3.82Å; Y143-Q481 HydrophobicContact CD2-CG 4.12Å; Y143-Q481 HydrophobicContact CE2-CB 4.13Å; Y143-Q481 HydrophobicContact CE2-CG 3.75Å; Y143-G497 WeakPolarHBondContact OH-CA 3.47Å; Y143-E498 PolarHBondContact OH-N 3.2Å
144	Y	98.9	Very high	98.6	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-76.8	-22.9	179.3	-73.1	-66.2	0	0	0	114.2	T140 H142 G146 W147 A148 A192 P193 S196 L496 G497 A500 L501	T140-Y144 HydrophobicContact CG2-CD2 3.87Å; T140-Y144 HydrophobicContact CG2-CE2 3.98Å; T140-Y144 WeakPolarHBondContact O-CD2 3.46Å; T140-Y144 PolarHBondContact O-N 2.79Å; T140-Y144 VanDerWaalsContact O-N 3.09Å; H142-Y144 PolarHBondContact O-N 2.65Å; Y144-G146 PolarHBondContact O-N 2.98Å; Y144-W147 HydrophobicContact CD1-CB 4.44Å; Y144-W147 PolarHBondContact O-N 2.81Å; Y144-W147 VanDerWaalsContact O-N 3.13Å; Y144-A148 PolarHBondContact O-N 3.21Å; Y144-A192 HydrophobicContact CD2-CB 3.64Å; Y144-A192 HydrophobicContact CG-CB 4.13Å; Y144-P193 HydrophobicContact CD1-CB 3.92Å; Y144-P193 HydrophobicContact CD2-CB 4.37Å; Y144-P193 HydrophobicContact CD2-CG 4.5Å; Y144-P193 HydrophobicContact CE1-CB 3.65Å; Y144-P193 HydrophobicContact CE2-CB 4.09Å; Y144-P193 HydrophobicContact CE2-CG 4.1Å; Y144-P193 HydrophobicContact CG-CB 4.26Å; Y144-S196 WeakPolarHBondContact O-CB 3.47Å; Y144-S196 PolarHBondContact O-OG 3.1Å; Y144-L496 WeakPolarHBondContact OH-CA 3.4Å; Y144-L496 PolarHBondContact OH-N 3.38Å; Y144-G497 PolarHBondContact OH-O 2.85Å; Y144-A500 WeakPolarHBondContact OH-CB 3.1Å; Y144-L501 HydrophobicContact CD1-CD2 3.83Å; Y144-L501 HydrophobicContact CE1-CD2 3.81Å; Y144-L501 HydrophobicContact CE1-CG 4.26Å
145	G	98.6	Very high	98.6	Very high	4 Å²	4	47.9 Å²	47.9	4%	0.041	25%	0.251	C	S	.	.	H	α-helix	trans	-56.7	-38.4	165.9	0	0	0	0	0	111.7	G97 L141 H142	G97-G145 WeakPolarHBondContact CA-O 3.3Å; L141-G145 PolarHBondContact O-N 3.28Å; H142-G145 PolarHBondContact O-N 3.28Å
146	G	98.7	Very high	98.6	Very high	27 Å²	27	48.4 Å²	48.4	28%	0.278	26%	0.257	S	S	.	.	H	α-helix	trans	-72.6	-20.9	175.3	0	0	0	0	0	115.2	H142 Y143 Y144 K150	H142-G146 PolarHBondContact O-N 3.47Å; H142-G146 VanDerWaalsContact O-N 3.11Å; Y143-G146 PolarHBondContact O-N 2.84Å; Y144-G146 PolarHBondContact O-N 2.98Å; G146-K150 WeakPolarHBondContact O-CD 3.31Å; G146-K150 PolarHBondContact O-NZ 3.5Å
147	W	98.8	Very high	98.4	Very high	46 Å²	46	53.6 Å²	53.6	17%	0.174	29%	0.287	C	S	.	.	H	α-helix	trans	-85.9	-18.5	-179.7	-84.3	107.6	0	0	0	114.6	Y143 Y144 D149 K150 I151 E498 L501	Y143-W147 AromaticContact CD1-CD1 3.93Å; Y143-W147 AromaticContact CE1-CD1 3.57Å; Y143-W147 AromaticContact CE1-NE1 3.32Å; Y143-W147 VanDerWaalsContact CE1-NE1 3.32Å; Y143-W147 AromaticContact CE2-NE1 3.57Å; Y143-W147 AromaticContact CZ-CD1 3.76Å; Y143-W147 AromaticContact CZ-NE1 3.03Å; Y143-W147 PolarHBondContact O-N 2.92Å; Y143-W147 PolarHBondContact OH-NE1 3.38Å; Y144-W147 HydrophobicContact CD1-CB 4.44Å; Y144-W147 PolarHBondContact O-N 2.81Å; Y144-W147 VanDerWaalsContact O-N 3.13Å; W147-D149 PolarHBondContact O-N 2.83Å; W147-K150 HydrophobicContact CE3-CB 3.8Å; W147-K150 HydrophobicContact CZ3-CB 4.1Å; W147-K150 PolarHBondContact O-N 3.46Å; W147-I151 WeakPolarHBondContact O-CG1 3.43Å; W147-E498 HydrophobicContact CH2-CB 3.9Å; W147-E498 VanDerWaalsContact CH2-CD 3.46Å; W147-E498 HydrophobicContact CH2-CG 3.51Å; W147-E498 HydrophobicContact CZ2-CB 3.73Å; W147-E498 HydrophobicContact CZ2-CG 3.87Å; W147-E498 HydrophobicContact CZ3-CG 4.01Å; W147-L501 HydrophobicContact CB-CD1 4.05Å; W147-L501 HydrophobicContact CB-CD2 4.3Å; W147-L501 HydrophobicContact CD2-CD1 3.54Å; W147-L501 HydrophobicContact CE3-CD1 3.5Å; W147-L501 VanDerWaalsContact CE3-CD1 3.5Å; W147-L501 HydrophobicContact CG-CD1 3.79Å; W147-L501 HydrophobicContact CZ3-CD1 4.15Å
148	A	98.4	Very high	98.2	Very high	2 Å²	2	57 Å²	57	2%	0.017	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-31	-167	0	0	0	0	0	113.9	P93 R96 Y144 S196	P93-A148 VanDerWaalsContact CB-O 3.23Å; P93-A148 WeakPolarHBondContact CB-O 2.93Å; P93-A148 WeakPolarHBondContact O-CB 3.31Å; R96-A148 HydrophobicContact CB-CB 4.3Å; R96-A148 PolarHBondContact NH2-O 2.93Å; Y144-A148 PolarHBondContact O-N 3.21Å; A148-S196 WeakPolarHBondContact CA-OG 3.39Å; A148-S196 PolarHBondContact N-OG 2.86Å; A148-S196 VanDerWaalsContact N-OG 3.13Å
149	D	98.3	Very high	97.8	Very high	73 Å²	73	60.6 Å²	60.6	39%	0.39	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.5	12.5	178.5	67.2	-9.6	0	0	0	114.6	P93 P94 W147	P93-D149 HydrophobicContact CB-CB 4.09Å; P94-D149 HydrophobicContact CB-CB 4.48Å; P94-D149 HydrophobicContact CG-CB 3.78Å; W147-D149 PolarHBondContact O-N 2.83Å
150	K	98.8	Very high	97.4	Very high	97 Å²	97	64.9 Å²	64.9	42%	0.422	35%	0.349	S	S	.	.			trans	-119.7	12.1	-178.4	-63.9	174.5	-168.6	63.7	0	113.3	G146 W147 H152	G146-K150 WeakPolarHBondContact O-CD 3.31Å; G146-K150 PolarHBondContact O-NZ 3.5Å; W147-K150 HydrophobicContact CE3-CB 3.8Å; W147-K150 HydrophobicContact CZ3-CB 4.1Å; W147-K150 PolarHBondContact O-N 3.46Å; K150-H152 PolarHBondContact O-CE1 3.5Å; K150-H152 PolarHBondContact O-N 2.83Å; K150-H152 PolarHBondContact O-ND1 3.46Å; K150-H152 VanDerWaalsContact O-ND1 3.17Å
151	I	98.4	Very high	97.3	Very high	37 Å²	37	68 Å²	68	19%	0.19	37%	0.368	C	S	.	.			trans	-83.8	92	176.1	-61.2	158.3	0	0	0	107.7	W147 L168 C197 L501	W147-I151 WeakPolarHBondContact O-CG1 3.43Å; I151-L168 HydrophobicContact CG2-CB 3.78Å; I151-L168 HydrophobicContact CG2-CD1 3.64Å; I151-L168 HydrophobicContact CG2-CG 4.35Å; I151-C197 HydrophobicContact CD1-CB 4.28Å; I151-L501 HydrophobicContact CD1-CD2 4.32Å; I151-L501 HydrophobicContact CG1-CD1 4.15Å; I151-L501 HydrophobicContact CG1-CD2 4.48Å
152	H	98.4	Very high	97.2	Very high	137 Å²	137	71.8 Å²	71.8	63%	0.634	39%	0.385	S	S	*	.			trans	-95.8	138.8	-174	-53	119.5	0	0	0	112.4	K150 L168	K150-H152 PolarHBondContact O-CE1 3.5Å; K150-H152 PolarHBondContact O-N 2.83Å; K150-H152 PolarHBondContact O-ND1 3.46Å; K150-H152 VanDerWaalsContact O-ND1 3.17Å; H152-L168 WeakPolarHBondContact O-CD1 3.38Å
153	G	97.9	Very high	97.1	Very high	34 Å²	34	71.8 Å²	71.8	35%	0.351	39%	0.387	S	S	.	.			trans	-75.2	-166.9	160.3	0	0	0	0	0	112.2	T166	G153-T166 WeakPolarHBondContact CA-O 3.42Å
154	K	98.5	Very high	97	Very high	153 Å²	153	70.3 Å²	70.3	67%	0.665	38%	0.383	S	S	*	.			trans	-129.2	146	-179.5	-57	-170.5	179.8	-165.9	0	110.7	V156 L165 T166	K154-V156 HydrophobicContact CB-CG2 4.32Å; K154-L165 CarbonylContact O-C 3.59Å; K154-L165 VanDerWaalsContact O-CA 3.31Å; K154-L165 WeakPolarHBondContact O-CA 3.45Å; K154-T166 PolarHBondContact N-OG1 2.94Å; K154-T166 PolarHBondContact O-N 3.38Å
155	S	98.1	Very high	97	Very high	93 Å²	93	73.4 Å²	73.4	65%	0.65	40%	0.399	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.6	124.8	155	55.9	0	0	0	0	108.5
156	V	97.6	Very high	97	Very high	62 Å²	62	74.5 Å²	74.5	38%	0.376	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	116.7	-174.5	-175.2	0	0	0	0	108.8	K154 V158 C164 T166	K154-V156 HydrophobicContact CB-CG2 4.32Å; V156-V158 HydrophobicContact CG1-CG1 4.13Å; V156-V158 PolarHBondContact O-N 3.31Å; V156-V158 VanDerWaalsContact O-N 3.17Å; V156-C164 HydrophobicContact CB-CB 4.12Å; V156-C164 PolarHBondContact N-O 3.08Å; V156-T166 HydrophobicContact CG2-CG2 4.29Å
157	P	95.3	Very high	97	Very high	126 Å²	126	80 Å²	80	82%	0.818	42%	0.417	S	S	*	.			trans	-69.8	112.6	174.1	29.1	-32	0	0	0	109
158	V	94.4	Very high	96.9	Very high	72 Å²	72	80.8 Å²	80.8	44%	0.436	43%	0.425	S	S	.	.			trans	-112.8	-154.6	171.2	-62.6	0	0	0	0	108.4	V156 F162 C164	V156-V158 HydrophobicContact CG1-CG1 4.13Å; V156-V158 PolarHBondContact O-N 3.31Å; V156-V158 VanDerWaalsContact O-N 3.17Å; V158-F162 HydrophobicContact CG2-CB 3.8Å; V158-F162 WeakPolarHBondContact CG2-O 3.43Å; V158-C164 HydrophobicContact CG1-CB 4.11Å; V158-C164 HydrophobicContact CG2-CB 4.12Å; V158-C164 VanDerWaalsContact CG2-SG 3.6Å
159	D	91	Very high	97	Very high	86 Å²	86	82.6 Å²	82.6	46%	0.46	43%	0.433	S	S	.	.			trans	-69.1	167.7	172.3	68.3	72.8	0	0	0	112.8	T161 F162	D159-T161 PolarHBondContact O-N 2.75Å; D159-T161 VanDerWaalsContact O-N 3.14Å; D159-T161 WeakPolarHBondContact OD1-CA 3.39Å; D159-T161 WeakPolarHBondContact OD1-CB 3.39Å; D159-T161 PolarHBondContact OD1-N 3.08Å; D159-T161 PolarHBondContact OD1-OG1 2.84Å; D159-F162 PolarHBondContact O-N 3.21Å; D159-F162 WeakPolarHBondContact OD1-CD2 3.12Å
160	E	90.6	Very high	97	Very high	195 Å²	195	80.5 Å²	80.5	91%	0.911	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-13.8	-173.7	-61.5	-177	166.1	0	0	113.9	F162	E160-F162 VanDerWaalsContact C-N 3.33Å
161	T	95.6	Very high	97	Very high	64 Å²	64	77 Å²	77	39%	0.393	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-13.6	-177.1	-28.9	0	0	0	0	112.4	D159 M514	D159-T161 PolarHBondContact O-N 2.75Å; D159-T161 VanDerWaalsContact O-N 3.14Å; D159-T161 WeakPolarHBondContact OD1-CA 3.39Å; D159-T161 WeakPolarHBondContact OD1-CB 3.39Å; D159-T161 PolarHBondContact OD1-N 3.08Å; D159-T161 PolarHBondContact OD1-OG1 2.84Å; T161-M514 PolarHBondContact O-N 3.28Å
162	F	96.8	Very high	97	Very high	80 Å²	80	75.7 Å²	75.7	35%	0.351	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	137.2	-169.7	-62.5	-76.3	0	0	0	113.8	V158 D159 E160 T511 F512 K513	V158-F162 HydrophobicContact CG2-CB 3.8Å; V158-F162 WeakPolarHBondContact CG2-O 3.43Å; D159-F162 PolarHBondContact O-N 3.21Å; D159-F162 WeakPolarHBondContact OD1-CD2 3.12Å; E160-F162 VanDerWaalsContact C-N 3.33Å; F162-T511 HydrophobicContact CB-CG2 3.98Å; F162-T511 HydrophobicContact CD1-CG2 3.59Å; F162-T511 HydrophobicContact CE1-CG2 4.38Å; F162-T511 HydrophobicContact CG-CG2 3.99Å; F162-F512 VanDerWaalsContact CA-O 3.3Å; F162-F512 WeakPolarHBondContact CA-O 3.29Å; F162-K513 HydrophobicContact CD1-CB 4.17Å; F162-K513 HydrophobicContact CE1-CB 3.92Å; F162-K513 HydrophobicContact CE1-CG 4.12Å
163	L	96.6	Very high	97	Very high	76 Å²	76	69.5 Å²	69.5	40%	0.398	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	116.7	161.7	171.8	64.7	0	0	0	109.1	L165 T511 F512 M514	L163-L165 HydrophobicContact CD1-CD2 4.19Å; L163-L165 HydrophobicContact CD1-CG 4.41Å; L163-L165 HydrophobicContact CG-CG 4.38Å; L163-T511 WeakPolarHBondContact O-CA 3.33Å; L163-F512 HydrophobicContact CB-CB 4.29Å; L163-F512 HydrophobicContact CB-CD2 4.5Å; L163-F512 HydrophobicContact CD2-CD2 4.18Å; L163-F512 HydrophobicContact CG-CD2 4.29Å; L163-F512 PolarHBondContact N-O 2.79Å; L163-F512 PolarHBondContact O-N 2.79Å; L163-M514 HydrophobicContact CB-CG 4.28Å; L163-M514 HydrophobicContact CB-SD 3.71Å
164	C	97.9	Very high	97.1	Very high	12 Å²	12	68 Å²	68	8%	0.081	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	124.8	178.4	-75	0	0	0	0	111.7	V156 V158 T511	V156-C164 HydrophobicContact CB-CB 4.12Å; V156-C164 PolarHBondContact N-O 3.08Å; V158-C164 HydrophobicContact CG1-CB 4.11Å; V158-C164 HydrophobicContact CG2-CB 4.12Å; V158-C164 VanDerWaalsContact CG2-SG 3.6Å; C164-T511 VanDerWaalsContact SG-CG2 3.57Å; C164-T511 PolarHBondContact SG-OG1 3.1Å
165	L	98.2	Very high	97.1	Very high	65 Å²	65	60.7 Å²	60.7	34%	0.34	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	150.4	176.1	-58.4	175.3	0	0	0	109.9	K154 L163 V510 F512	K154-L165 CarbonylContact O-C 3.59Å; K154-L165 VanDerWaalsContact O-CA 3.31Å; K154-L165 WeakPolarHBondContact O-CA 3.45Å; L163-L165 HydrophobicContact CD1-CD2 4.19Å; L163-L165 HydrophobicContact CD1-CG 4.41Å; L163-L165 HydrophobicContact CG-CG 4.38Å; L165-V510 PolarHBondContact N-O 3.36Å; L165-V510 PolarHBondContact O-N 3.09Å; L165-F512 HydrophobicContact CD1-CE2 4.36Å
166	T	98.6	Very high	97.1	Very high	27 Å²	27	56.4 Å²	56.4	17%	0.166	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	146	166.1	66.6	0	0	0	0	111.2	G153 K154 V156 V507 K508	G153-T166 WeakPolarHBondContact CA-O 3.42Å; K154-T166 PolarHBondContact N-OG1 2.94Å; K154-T166 PolarHBondContact O-N 3.38Å; V156-T166 HydrophobicContact CG2-CG2 4.29Å; T166-V507 HydrophobicContact CG2-CG1 4.3Å; T166-K508 CarbonylContact C-O 3.56Å; T166-K508 VanDerWaalsContact CA-O 3.28Å; T166-K508 WeakPolarHBondContact CA-O 3.34Å
167	R	98.2	Very high	97.2	Very high	144 Å²	144	54 Å²	54	54%	0.543	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	138.8	168.2	-64	174.1	61.2	82.7	2.9	108.4	E169 V507 K508	R167-E169 HydrophobicContact CB-CG 4.24Å; R167-E169 IonicContact NE-OE1 2.65Å; R167-E169 PolarHBondContact NE-OE1 2.73Å; R167-V507 WeakPolarHBondContact O-CA 3.45Å; R167-K508 HydrophobicContact CB-CB 4.45Å; R167-K508 PolarHBondContact N-O 2.97Å; R167-K508 PolarHBondContact O-N 3.29Å
168	L	98.4	Very high	97.4	Very high	62 Å²	62	48.2 Å²	48.2	33%	0.325	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	102.9	167.6	-62.5	-173.8	0	0	0	107.5	I151 H152 V507	I151-L168 HydrophobicContact CG2-CB 3.78Å; I151-L168 HydrophobicContact CG2-CD1 3.64Å; I151-L168 HydrophobicContact CG2-CG 4.35Å; H152-L168 WeakPolarHBondContact O-CD1 3.38Å; L168-V507 HydrophobicContact CD2-CB 4.35Å; L168-V507 HydrophobicContact CD2-CG2 3.61Å
169	E	98.5	Very high	97.6	Very high	40 Å²	40	45.5 Å²	45.5	19%	0.187	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	154	179.5	-62.5	-173	174	0	0	109.9	R167 I171 S505 E506 K508	R167-E169 HydrophobicContact CB-CG 4.24Å; R167-E169 IonicContact NE-OE1 2.65Å; R167-E169 PolarHBondContact NE-OE1 2.73Å; E169-I171 PolarHBondContact O-N 2.86Å; E169-S505 CarbonylContact O-C 3.48Å; E169-S505 VanDerWaalsContact O-CA 3.24Å; E169-S505 WeakPolarHBondContact O-CA 3.35Å; E169-E506 PolarHBondContact N-O 2.93Å; E169-E506 PolarHBondContact O-N 2.69Å; E169-K508 IonicContact OE1-NZ 2.95Å; E169-K508 PolarHBondContact OE1-NZ 3.07Å; E169-K508 WeakPolarHBondContact OE2-CE 3.4Å; E169-K508 IonicContact OE2-NZ 3.54Å; E169-K508 PolarHBondContact OE2-NZ 3.21Å
170	P	98.7	Very high	97.9	Very high	29 Å²	29	43.2 Å²	43.2	19%	0.188	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.7	142.8	166.8	24.5	-32.8	0	0	0	109.6	M82 G172 C197 G198 N199	M82-P170 HydrophobicContact CE-CB 3.97Å; M82-P170 HydrophobicContact CE-CG 3.93Å; P170-G172 VanDerWaalsContact C-N 3.32Å; P170-G172 PolarHBondContact O-N 3.5Å; P170-C197 WeakPolarHBondContact CB-O 3.28Å; P170-G198 WeakPolarHBondContact CB-O 3.18Å; P170-N199 WeakPolarHBondContact CB-OD1 3.46Å
171	I	98.8	Very high	98.3	Very high	24 Å²	24	34.3 Å²	34.3	12%	0.123	17%	0.173	C	C	.	.			trans	-61.2	-44.2	176.4	-64.1	171.3	0	0	0	110.6	E169 N199 D258 K259 R283 E503 E506	E169-I171 PolarHBondContact O-N 2.86Å; I171-N199 PolarHBondContact N-OD1 3.33Å; I171-D258 HydrophobicContact CG2-CB 3.72Å; I171-K259 HydrophobicContact CD1-CB 4.33Å; I171-K259 HydrophobicContact CD1-CD 3.57Å; I171-K259 HydrophobicContact CG2-CB 4.09Å; I171-R283 VanDerWaalsContact CD1-CZ 3.48Å; I171-E503 WeakPolarHBondContact CD1-O 3.41Å; I171-E506 HydrophobicContact CG1-CB 4.32Å
172	G	98.8	Very high	98.5	Very high	8 Å²	8	31.9 Å²	31.9	8%	0.082	16%	0.157	C	C	.	.	S	Bend	trans	142.8	-127.3	-173.1	0	0	0	0	0	112.3	P170 N199 T200 D258	P170-G172 VanDerWaalsContact C-N 3.32Å; P170-G172 PolarHBondContact O-N 3.5Å; G172-N199 PolarHBondContact N-OD1 3.24Å; G172-N199 WeakPolarHBondContact O-CA 3.42Å; G172-N199 WeakPolarHBondContact O-CB 3.26Å; G172-N199 PolarHBondContact O-OD1 3.2Å; G172-T200 PolarHBondContact O-N 2.99Å; G172-T200 VanDerWaalsContact O-N 3.15Å; G172-D258 WeakPolarHBondContact CA-OD2 3.35Å
173	I	98.9	Very high	98.6	Very high	7 Å²	7	28.2 Å²	28.2	4%	0.036	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	116.6	177.3	-57.4	168	0	0	0	108.5	V75 A78 K79 M82 V202 G256 I257 D258 K259	V75-I173 HydrophobicContact CG1-CD1 4.07Å; A78-I173 HydrophobicContact CB-CD1 4.21Å; A78-I173 HydrophobicContact CB-CG1 4.05Å; A78-I173 HydrophobicContact CB-CG2 3.8Å; K79-I173 HydrophobicContact CB-CD1 3.68Å; K79-I173 HydrophobicContact CG-CD1 4.36Å; M82-I173 HydrophobicContact CG-CG1 4.41Å; I173-V202 HydrophobicContact CG2-CG2 4.22Å; I173-G256 WeakPolarHBondContact CD1-O 3.2Å; I173-I257 HydrophobicContact CG2-CG1 4.18Å; I173-D258 PolarHBondContact N-OD2 2.86Å; I173-D258 PolarHBondContact O-N 3.2Å; I173-K259 PolarHBondContact O-N 3.28Å
174	C	98.9	Very high	98.6	Very high	3 Å²	3	24.6 Å²	24.6	2%	0.02	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	115.4	178.2	-64.8	0	0	0	0	110.5	T200 V201 V202 K259 Y504	C174-T200 PolarHBondContact N-O 3.06Å; C174-V201 VanDerWaalsContact O-CA 3.31Å; C174-V201 WeakPolarHBondContact O-CA 3.38Å; C174-V202 PolarHBondContact O-N 3.24Å; C174-K259 CarbonylContact C-O 3.41Å; C174-K259 WeakPolarHBondContact CA-O 3.35Å; C174-Y504 HydrophobicContact CB-CE1 4.37Å
175	G	98.9	Very high	98.7	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	134.5	163.7	0	0	0	0	0	110.4	V202 K259 V260 A261	G175-V202 CarbonylContact C-O 3.53Å; G175-V202 WeakPolarHBondContact CA-O 3.37Å; G175-K259 PolarHBondContact N-O 3.18Å; G175-V260 CarbonylContact O-C 3.59Å; G175-V260 VanDerWaalsContact O-CA 3.3Å; G175-V260 WeakPolarHBondContact O-CA 3.42Å; G175-A261 PolarHBondContact O-N 3Å
176	A	98.8	Very high	98.7	Very high	3 Å²	3	22.4 Å²	22.4	3%	0.025	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	131.3	176.6	0	0	0	0	0	110.6	K190 V201 V202 I203 K204 A261	A176-K190 HydrophobicContact CB-CB 4.17Å; A176-K190 HydrophobicContact CB-CD 3.75Å; A176-V201 HydrophobicContact CB-CG1 4.19Å; A176-V202 PolarHBondContact N-O 3.48Å; A176-I203 HydrophobicContact CB-CB 4.06Å; A176-I203 HydrophobicContact CB-CD1 3.68Å; A176-I203 HydrophobicContact CB-CG1 3.87Å; A176-I203 CarbonylContact O-C 3.54Å; A176-I203 VanDerWaalsContact O-CA 3.27Å; A176-I203 WeakPolarHBondContact O-CA 3.47Å; A176-K204 PolarHBondContact O-N 3.29Å; A176-A261 WeakPolarHBondContact CA-O 3.27Å
177	I	98.9	Very high	98.7	Very high	11 Å²	11	21.1 Å²	21.1	6%	0.056	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	119.4	179.7	-60	167.6	0	0	0	106.8	K190 K204 G248 I251 V260 A261 F262 T263 I272	I177-K190 WeakPolarHBondContact O-CE 3.15Å; I177-K204 HydrophobicContact CG2-CD 4.28Å; I177-G248 WeakPolarHBondContact CD1-O 3.08Å; I177-I251 HydrophobicContact CD1-CB 4.41Å; I177-I251 HydrophobicContact CD1-CG2 4.21Å; I177-I251 HydrophobicContact CG1-CG2 4.31Å; I177-V260 HydrophobicContact CD1-CG2 4.39Å; I177-A261 PolarHBondContact N-O 3.15Å; I177-F262 HydrophobicContact CB-CD2 3.83Å; I177-F262 HydrophobicContact CD1-CD2 4.49Å; I177-F262 HydrophobicContact CG2-CD2 3.65Å; I177-F262 HydrophobicContact CG2-CE2 3.9Å; I177-T263 PolarHBondContact O-N 3.5Å; I177-T263 VanDerWaalsContact O-N 3.1Å; I177-I272 HydrophobicContact CD1-CD1 3.73Å
178	I	98.9	Very high	98.8	Very high	5 Å²	5	14.3 Å²	14.3	3%	0.026	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	148.4	-172.3	59.6	174.8	0	0	0	111.8	M186 L187 K190 I203 K204 P205 A206	I178-M186 HydrophobicContact CB-CB 4.07Å; I178-M186 HydrophobicContact CG2-CB 4.07Å; I178-L187 HydrophobicContact CD1-CB 3.81Å; I178-L187 HydrophobicContact CD1-CD1 4.45Å; I178-K190 HydrophobicContact CG2-CD 3.51Å; I178-K190 VanDerWaalsContact CG2-CE 3.49Å; I178-K190 HydrophobicContact CG2-CG 4.31Å; I178-I203 HydrophobicContact CD1-CD1 4.36Å; I178-I203 HydrophobicContact CG2-CD1 4.04Å; I178-K204 PolarHBondContact N-O 3.42Å; I178-P205 HydrophobicContact CD1-CB 4.11Å; I178-P205 HydrophobicContact CG1-CB 4.25Å; I178-A206 WeakPolarHBondContact O-CB 3.41Å; I178-A206 PolarHBondContact O-N 3.21Å
179	P	98.8	Very high	98.8	Very high	15 Å²	15	12.3 Å²	12.3	10%	0.097	6%	0.064	C	C	.	.			trans	-85	176.4	-179.6	38.5	-39.4	0	0	0	111.1	N181 M186 T263	P179-N181 WeakPolarHBondContact CB-OD1 3.34Å; P179-N181 WeakPolarHBondContact CG-OD1 3.47Å; P179-M186 HydrophobicContact CG-CG 3.94Å; P179-T263 WeakPolarHBondContact CD-O 3.34Å; P179-T263 HydrophobicContact CG-CG2 3.85Å
180	W	98.8	Very high	98.8	Very high	37 Å²	37	10.5 Å²	10.5	14%	0.14	6%	0.055	C	C	.	.	S	Bend	trans	-91.4	-10.6	-176	49.6	-106.4	0	0	0	115.2	P183 A206 Q208 T209 Q319 I364 Q368 F420	W180-P183 VanDerWaalsContact O-CD 3.26Å; W180-P183 WeakPolarHBondContact O-CD 3.44Å; W180-P183 WeakPolarHBondContact O-CG 3.36Å; W180-A206 HydrophobicContact CB-CB 3.81Å; W180-Q208 HydrophobicContact CB-CB 3.97Å; W180-Q208 HydrophobicContact CG-CB 4.45Å; W180-T209 VanDerWaalsContact CA-OG1 3.22Å; W180-T209 WeakPolarHBondContact CA-OG1 3.24Å; W180-T209 HydrophobicContact CB-CG2 3.81Å; W180-T209 WeakPolarHBondContact CB-OG1 3.14Å; W180-Q319 HydrophobicContact CH2-CB 3.93Å; W180-Q319 HydrophobicContact CH2-CG 3.98Å; W180-Q319 HydrophobicContact CZ3-CB 3.73Å; W180-Q319 VanDerWaalsContact CZ3-CD 3.42Å; W180-Q319 HydrophobicContact CZ3-CG 3.97Å; W180-I364 HydrophobicContact CB-CG1 4.27Å; W180-I364 HydrophobicContact CD2-CB 4.07Å; W180-I364 HydrophobicContact CD2-CG1 3.81Å; W180-I364 HydrophobicContact CD2-CG2 3.81Å; W180-I364 HydrophobicContact CE3-CB 3.55Å; W180-I364 HydrophobicContact CE3-CD1 4.15Å; W180-I364 HydrophobicContact CE3-CG1 3.57Å; W180-I364 HydrophobicContact CE3-CG2 3.66Å; W180-I364 HydrophobicContact CG-CG1 4.1Å; W180-I364 HydrophobicContact CH2-CB 4.04Å; W180-I364 HydrophobicContact CH2-CG2 3.41Å; W180-I364 VanDerWaalsContact CH2-CG2 3.41Å; W180-I364 HydrophobicContact CZ2-CG2 3.58Å; W180-I364 HydrophobicContact CZ3-CB 3.56Å; W180-I364 HydrophobicContact CZ3-CG1 4.14Å; W180-I364 HydrophobicContact CZ3-CG2 3.48Å; W180-I364 VanDerWaalsContact CZ3-CG2 3.48Å; W180-Q368 HydrophobicContact CH2-CG 4.11Å; W180-Q368 HydrophobicContact CZ2-CG 4.3Å; W180-F420 AromaticContact CH2-CD1 3.45Å; W180-F420 HydrophobicContact CH2-CD1 3.45Å; W180-F420 VanDerWaalsContact CH2-CD1 3.45Å; W180-F420 AromaticContact CH2-CE1 3.28Å; W180-F420 HydrophobicContact CH2-CE1 3.28Å; W180-F420 AromaticContact CZ2-CD1 3.81Å; W180-F420 HydrophobicContact CZ2-CD1 3.81Å; W180-F420 AromaticContact CZ2-CE1 3.6Å; W180-F420 HydrophobicContact CZ2-CE1 3.6Å; W180-F420 HydrophobicContact CZ3-CD1 4.41Å; W180-F420 AromaticContact CZ3-CE1 3.92Å; W180-F420 HydrophobicContact CZ3-CE1 3.92Å
181	N	98.6	Very high	98.8	Very high	9 Å²	9	9.1 Å²	9.1	5%	0.048	5%	0.046	C	C	.	.	S	Bend	trans	-79.6	-31.7	-170.7	63.6	-37	0	0	0	113.5	K124 P179 N316 Q319 F420	K124-N181 PolarHBondContact NZ-O 3.38Å; K124-N181 VanDerWaalsContact NZ-O 3.14Å; P179-N181 WeakPolarHBondContact CB-OD1 3.34Å; P179-N181 WeakPolarHBondContact CG-OD1 3.47Å; N181-N316 PolarHBondContact O-ND2 3.48Å; N181-Q319 HydrophobicContact CB-CB 4.39Å; N181-Q319 VanDerWaalsContact CB-O 3.3Å; N181-Q319 WeakPolarHBondContact CB-O 3.3Å; N181-Q319 PolarHBondContact ND2-O 3.2Å; N181-F420 HydrophobicContact CB-CE1 4.05Å; N181-F420 HydrophobicContact CB-CZ 4.07Å; N181-F420 WeakPolarHBondContact ND2-CZ 3.38Å
182	F	98.7	Very high	98.8	Very high	13 Å²	13	8 Å²	8	6%	0.057	4%	0.041	C	C	.	.	S	Bend	trans	-136.2	66.5	170.1	-61.2	-90.7	0	0	0	110.8	D133 L184 L185 M186 Y315 N316 C320	D133-F182 VanDerWaalsContact OD2-CD1 3.27Å; D133-F182 WeakPolarHBondContact OD2-CD1 3.09Å; F182-L184 PolarHBondContact O-N 3.39Å; F182-L185 HydrophobicContact CB-CB 4Å; F182-L185 HydrophobicContact CB-CD2 4.39Å; F182-L185 HydrophobicContact CD1-CD2 4.25Å; F182-L185 HydrophobicContact CG-CD2 4.49Å; F182-L185 PolarHBondContact O-N 3.43Å; F182-M186 HydrophobicContact CB-CG 4.1Å; F182-M186 WeakPolarHBondContact O-CB 3.36Å; F182-M186 VanDerWaalsContact O-CG 3.25Å; F182-M186 WeakPolarHBondContact O-CG 3.24Å; F182-M186 PolarHBondContact O-N 3.41Å; F182-Y315 AromaticContact CE1-CE1 3.63Å; F182-Y315 HydrophobicContact CE1-CE1 3.63Å; F182-Y315 HydrophobicContact CZ-CD1 4.22Å; F182-Y315 AromaticContact CZ-CE1 3.62Å; F182-Y315 HydrophobicContact CZ-CE1 3.62Å; F182-N316 HydrophobicContact CE1-CB 4.14Å; F182-N316 HydrophobicContact CZ-CB 3.69Å; F182-N316 WeakPolarHBondContact CZ-ND2 3.38Å; F182-C320 HydrophobicContact CE2-CB 4.07Å; F182-C320 VanDerWaalsContact CE2-SG 3.55Å; F182-C320 HydrophobicContact CZ-CB 4.26Å
183	P	98.8	Very high	98.8	Very high	2 Å²	2	7.6 Å²	7.6	1%	0.013	4%	0.037	C	C	.	.	H	α-helix	trans	-52.4	-54.6	-168.2	-25.6	31	0	0	0	113.8	E118 T122 W180 L187 T209	E118-P183 WeakPolarHBondContact OE1-CD 3.43Å; T122-P183 HydrophobicContact CG2-CG 3.53Å; W180-P183 VanDerWaalsContact O-CD 3.26Å; W180-P183 WeakPolarHBondContact O-CD 3.44Å; W180-P183 WeakPolarHBondContact O-CG 3.36Å; P183-L187 WeakPolarHBondContact O-CB 3.43Å; P183-L187 PolarHBondContact O-N 2.77Å; P183-T209 VanDerWaalsContact CG-CB 3.4Å; P183-T209 HydrophobicContact CG-CG2 3.78Å; P183-T209 WeakPolarHBondContact CG-OG1 2.96Å
184	L	98.6	Very high	98.8	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-73.3	-37.6	-175.7	-177.3	56.5	0	0	0	112.4	L114 E118 L134 F182 L187 M188 I216	L114-L184 HydrophobicContact CB-CD2 4.24Å; L114-L184 HydrophobicContact CD1-CD2 4.28Å; L114-L184 HydrophobicContact CD2-CD2 4.35Å; E118-L184 WeakPolarHBondContact OE1-CB 3.47Å; E118-L184 PolarHBondContact OE1-N 2.65Å; L134-L184 HydrophobicContact CD1-CD2 3.41Å; L134-L184 VanDerWaalsContact CD1-CD2 3.41Å; L134-L184 HydrophobicContact CD2-CD2 3.82Å; L134-L184 HydrophobicContact CG-CD2 4.25Å; F182-L184 PolarHBondContact O-N 3.39Å; L184-L187 HydrophobicContact CD1-CD2 4.13Å; L184-L187 WeakPolarHBondContact O-CB 3.31Å; L184-L187 PolarHBondContact O-N 3.43Å; L184-M188 HydrophobicContact CD1-CE 3.68Å; L184-M188 WeakPolarHBondContact O-CG 3.43Å; L184-M188 PolarHBondContact O-N 2.69Å; L184-I216 HydrophobicContact CD1-CD1 3.8Å; L184-I216 HydrophobicContact CD1-CG1 3.49Å; L184-I216 VanDerWaalsContact CD1-CG1 3.49Å
185	L	98.8	Very high	98.8	Very high	20 Å²	20	7.2 Å²	7.2	11%	0.105	3%	0.034	C	C	.	.	H	α-helix	trans	-65.7	-46.2	178.6	-174.1	64.1	0	0	0	111.2	S137 F182 L187 M188 W189	S137-L185 WeakPolarHBondContact OG-CA 3.43Å; F182-L185 HydrophobicContact CB-CB 4Å; F182-L185 HydrophobicContact CB-CD2 4.39Å; F182-L185 HydrophobicContact CD1-CD2 4.25Å; F182-L185 HydrophobicContact CG-CD2 4.49Å; F182-L185 PolarHBondContact O-N 3.43Å; L185-L187 VanDerWaalsContact C-N 3.32Å; L185-L187 PolarHBondContact O-N 2.76Å; L185-M188 PolarHBondContact O-N 3.22Å; L185-M188 VanDerWaalsContact O-N 3.15Å; L185-W189 HydrophobicContact CD2-CZ2 4.35Å; L185-W189 HydrophobicContact CG-CZ2 4.48Å; L185-W189 PolarHBondContact O-N 3.03Å
186	M	98.8	Very high	98.8	Very high	12 Å²	12	7.2 Å²	7.2	6%	0.059	3%	0.034	C	C	.	.	H	α-helix	trans	-66.6	-34.5	177.4	-66.4	-61.5	97.6	0	0	111.9	I178 P179 F182 W189 K190 T263	I178-M186 HydrophobicContact CB-CB 4.07Å; I178-M186 HydrophobicContact CG2-CB 4.07Å; P179-M186 HydrophobicContact CG-CG 3.94Å; F182-M186 HydrophobicContact CB-CG 4.1Å; F182-M186 WeakPolarHBondContact O-CB 3.36Å; F182-M186 VanDerWaalsContact O-CG 3.25Å; F182-M186 WeakPolarHBondContact O-CG 3.24Å; F182-M186 PolarHBondContact O-N 3.41Å; M186-W189 HydrophobicContact CE-CD2 3.54Å; M186-W189 HydrophobicContact CE-CE3 3.55Å; M186-W189 HydrophobicContact CE-CG 4.05Å; M186-W189 HydrophobicContact CE-CH2 4.03Å; M186-W189 HydrophobicContact CE-CZ2 4.04Å; M186-W189 HydrophobicContact CE-CZ3 3.81Å; M186-W189 PolarHBondContact O-N 3.01Å; M186-W189 HydrophobicContact SD-CE3 4.31Å; M186-K190 PolarHBondContact O-N 3.45Å; M186-T263 HydrophobicContact SD-CG2 4.01Å
187	L	98.8	Very high	98.8	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-56.6	-49.8	169.4	174.8	61.7	0	0	0	110.9	I178 P183 L184 L185 K190 L191 I203 A213 I216	I178-L187 HydrophobicContact CD1-CB 3.81Å; I178-L187 HydrophobicContact CD1-CD1 4.45Å; P183-L187 WeakPolarHBondContact O-CB 3.43Å; P183-L187 PolarHBondContact O-N 2.77Å; L184-L187 HydrophobicContact CD1-CD2 4.13Å; L184-L187 WeakPolarHBondContact O-CB 3.31Å; L184-L187 PolarHBondContact O-N 3.43Å; L185-L187 VanDerWaalsContact C-N 3.32Å; L185-L187 PolarHBondContact O-N 2.76Å; L187-K190 PolarHBondContact O-N 3.13Å; L187-L191 HydrophobicContact CD1-CD1 4.39Å; L187-L191 WeakPolarHBondContact O-CB 3.37Å; L187-L191 PolarHBondContact O-N 3.18Å; L187-I203 HydrophobicContact CD1-CD1 3.23Å; L187-I203 HydrophobicContact CD1-CG1 4.09Å; L187-I203 HydrophobicContact CD1-CG2 4.26Å; L187-A213 HydrophobicContact CD2-CB 3.89Å; L187-I216 HydrophobicContact CD2-CB 3.99Å; L187-I216 HydrophobicContact CD2-CG1 3.84Å; L187-I216 HydrophobicContact CD2-CG2 4.18Å
188	M	98.8	Very high	98.8	Very high	0 Å²	0	7 Å²	7	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-67.4	-36.2	-179.5	-68.5	-46.1	119.5	0	0	113.3	T140 L141 L184 L185 K190 L191 A192 I216	T140-M188 HydrophobicContact CG2-CB 4.28Å; L141-M188 HydrophobicContact CD1-CG 4.44Å; L141-M188 HydrophobicContact CD1-SD 3.69Å; L141-M188 HydrophobicContact CD2-SD 3.69Å; L141-M188 HydrophobicContact CG-CG 4.31Å; L141-M188 HydrophobicContact CG-SD 3.69Å; L184-M188 HydrophobicContact CD1-CE 3.68Å; L184-M188 WeakPolarHBondContact O-CG 3.43Å; L184-M188 PolarHBondContact O-N 2.69Å; L185-M188 PolarHBondContact O-N 3.22Å; L185-M188 VanDerWaalsContact O-N 3.15Å; M188-K190 PolarHBondContact O-N 3.36Å; M188-L191 HydrophobicContact SD-CD2 4.46Å; M188-A192 WeakPolarHBondContact O-CB 3.34Å; M188-A192 PolarHBondContact O-N 2.88Å; M188-I216 HydrophobicContact CE-CD1 4.14Å; M188-I216 HydrophobicContact CE-CG1 3.84Å; M188-I216 HydrophobicContact CE-CG2 4Å
189	W	98.8	Very high	98.8	Very high	21 Å²	21	6.8 Å²	6.8	8%	0.08	3%	0.034	C	C	.	.	H	α-helix	trans	-62.3	-28.5	177.4	-77.1	27.3	0	0	0	112.9	L185 M186 P193 M478 F484 E495 L496	L185-W189 HydrophobicContact CD2-CZ2 4.35Å; L185-W189 HydrophobicContact CG-CZ2 4.48Å; L185-W189 PolarHBondContact O-N 3.03Å; M186-W189 HydrophobicContact CE-CD2 3.54Å; M186-W189 HydrophobicContact CE-CE3 3.55Å; M186-W189 HydrophobicContact CE-CG 4.05Å; M186-W189 HydrophobicContact CE-CH2 4.03Å; M186-W189 HydrophobicContact CE-CZ2 4.04Å; M186-W189 HydrophobicContact CE-CZ3 3.81Å; M186-W189 PolarHBondContact O-N 3.01Å; M186-W189 HydrophobicContact SD-CE3 4.31Å; W189-P193 WeakPolarHBondContact O-CD 3.15Å; W189-P193 WeakPolarHBondContact O-CG 3.22Å; W189-M478 HydrophobicContact CH2-CE 3.42Å; W189-M478 VanDerWaalsContact CH2-CE 3.42Å; W189-M478 HydrophobicContact CZ2-CE 4.01Å; W189-M478 HydrophobicContact CZ3-CE 4.33Å; W189-F484 HydrophobicContact CH2-CD1 4.25Å; W189-F484 HydrophobicContact CH2-CG 4.45Å; W189-F484 HydrophobicContact CZ3-CB 4.49Å; W189-F484 AromaticContact CZ3-CD1 3.73Å; W189-F484 HydrophobicContact CZ3-CD1 3.73Å; W189-F484 HydrophobicContact CZ3-CE1 4.25Å; W189-F484 HydrophobicContact CZ3-CG 4.27Å; W189-E495 HydrophobicContact CE3-CB 4.22Å; W189-L496 HydrophobicContact CD2-CD1 4.22Å; W189-L496 HydrophobicContact CD2-CD2 3.89Å; W189-L496 HydrophobicContact CD2-CG 3.95Å; W189-L496 HydrophobicContact CE3-CD1 4.43Å; W189-L496 HydrophobicContact CE3-CG 4.15Å; W189-L496 HydrophobicContact CG-CD2 3.98Å; W189-L496 HydrophobicContact CH2-CD1 3.79Å; W189-L496 HydrophobicContact CH2-CG 4.38Å; W189-L496 HydrophobicContact CZ2-CD1 3.5Å; W189-L496 VanDerWaalsContact CZ2-CD1 3.5Å; W189-L496 HydrophobicContact CZ2-CD2 4.47Å; W189-L496 HydrophobicContact CZ2-CG 4.16Å; W189-L496 HydrophobicContact CZ3-CD1 4.22Å; W189-L496 HydrophobicContact CZ3-CG 4.36Å
190	K	98.9	Very high	98.8	Very high	2 Å²	2	6.1 Å²	6.1	1%	0.009	3%	0.029	C	C	.	.	H	α-helix	trans	-90.1	-46.9	175.8	-61.6	-170.3	-170.1	-59.2	0	112.3	A176 I177 I178 M186 L187 M188 A194 A261 T263 E495	A176-K190 HydrophobicContact CB-CB 4.17Å; A176-K190 HydrophobicContact CB-CD 3.75Å; I177-K190 WeakPolarHBondContact O-CE 3.15Å; I178-K190 HydrophobicContact CG2-CD 3.51Å; I178-K190 VanDerWaalsContact CG2-CE 3.49Å; I178-K190 HydrophobicContact CG2-CG 4.31Å; M186-K190 PolarHBondContact O-N 3.45Å; L187-K190 PolarHBondContact O-N 3.13Å; M188-K190 PolarHBondContact O-N 3.36Å; K190-A194 VanDerWaalsContact O-CB 3.25Å; K190-A194 WeakPolarHBondContact O-CB 3.07Å; K190-A194 PolarHBondContact O-N 3.17Å; K190-A261 HydrophobicContact CD-CB 4.21Å; K190-T263 WeakPolarHBondContact CE-OG1 3.35Å; K190-T263 PolarHBondContact NZ-OG1 3.48Å; K190-E495 IonicContact NZ-OE1 3.33Å; K190-E495 PolarHBondContact NZ-OE1 3.08Å; K190-E495 IonicContact NZ-OE2 2.66Å
191	L	98.7	Very high	98.8	Very high	0 Å²	0	4.4 Å²	4.4	0%	0	2%	0.023	C	C	.	.	H	α-helix	trans	-68.2	-45.2	-173.2	-173.1	128.1	0	0	0	112.1	L103 L141 L187 M188 L195 V237	L103-L191 HydrophobicContact CD2-CD2 4.01Å; L141-L191 HydrophobicContact CD2-CD2 4.44Å; L187-L191 HydrophobicContact CD1-CD1 4.39Å; L187-L191 WeakPolarHBondContact O-CB 3.37Å; L187-L191 PolarHBondContact O-N 3.18Å; M188-L191 HydrophobicContact SD-CD2 4.46Å; L191-L195 HydrophobicContact CD1-CD1 4.26Å; L191-L195 HydrophobicContact CD2-CD1 3.43Å; L191-L195 VanDerWaalsContact CD2-CD1 3.43Å; L191-L195 HydrophobicContact CD2-CG 4.48Å; L191-L195 HydrophobicContact CG-CD1 3.53Å; L191-L195 HydrophobicContact CG-CG 4.19Å; L191-L195 WeakPolarHBondContact O-CB 3.11Å; L191-L195 WeakPolarHBondContact O-CG 3.36Å; L191-L195 PolarHBondContact O-N 2.89Å; L191-V237 HydrophobicContact CD1-CG1 3.69Å; L191-V237 HydrophobicContact CD1-CG2 3.94Å
192	A	98.9	Very high	98.8	Very high	0 Å²	0	4 Å²	4	0%	0	2%	0.02	C	C	.	.	H	α-helix	trans	-63.6	-51.9	-173.5	0	0	0	0	0	113.9	T140 L141 Y144 M188 S196	T140-A192 HydrophobicContact CG2-CB 3.94Å; L141-A192 HydrophobicContact CD2-CB 4.17Å; Y144-A192 HydrophobicContact CD2-CB 3.64Å; Y144-A192 HydrophobicContact CG-CB 4.13Å; M188-A192 WeakPolarHBondContact O-CB 3.34Å; M188-A192 PolarHBondContact O-N 2.88Å; A192-S196 VanDerWaalsContact O-CB 3.31Å; A192-S196 WeakPolarHBondContact O-CB 3.5Å; A192-S196 PolarHBondContact O-N 3.2Å
193	P	98.9	Very high	98.8	Very high	0 Å²	0	3.3 Å²	3.3	0%	0	2%	0.018	C	C	.	.	H	α-helix	trans	-66.3	-40.7	176.7	23.6	-31.6	0	0	0	112.6	Y144 W189 L195 S196 C197 A500 Y504	Y144-P193 HydrophobicContact CD1-CB 3.92Å; Y144-P193 HydrophobicContact CD2-CB 4.37Å; Y144-P193 HydrophobicContact CD2-CG 4.5Å; Y144-P193 HydrophobicContact CE1-CB 3.65Å; Y144-P193 HydrophobicContact CE2-CB 4.09Å; Y144-P193 HydrophobicContact CE2-CG 4.1Å; Y144-P193 HydrophobicContact CG-CB 4.26Å; W189-P193 WeakPolarHBondContact O-CD 3.15Å; W189-P193 WeakPolarHBondContact O-CG 3.22Å; P193-L195 PolarHBondContact O-N 3.38Å; P193-S196 PolarHBondContact O-N 2.96Å; P193-C197 PolarHBondContact O-N 2.89Å; P193-C197 VanDerWaalsContact O-N 3.08Å; P193-C197 PolarHBondContact O-SG 2.8Å; P193-A500 HydrophobicContact CB-CB 4.38Å; P193-Y504 HydrophobicContact CB-CD2 3.76Å; P193-Y504 HydrophobicContact CB-CE2 3.94Å; P193-Y504 HydrophobicContact CG-CD2 4.02Å; P193-Y504 HydrophobicContact CG-CE2 3.66Å
194	A	98.9	Very high	98.8	Very high	1 Å²	1	3.4 Å²	3.4	1%	0.008	2%	0.018	C	C	.	.	H	α-helix	trans	-58.2	-47.4	179.8	0	0	0	0	0	111.9	K190 G198 N199 V201 Y504	K190-A194 VanDerWaalsContact O-CB 3.25Å; K190-A194 WeakPolarHBondContact O-CB 3.07Å; K190-A194 PolarHBondContact O-N 3.17Å; A194-G198 PolarHBondContact O-N 2.75Å; A194-N199 HydrophobicContact CB-CB 4.43Å; A194-N199 WeakPolarHBondContact O-CB 3.31Å; A194-N199 PolarHBondContact O-N 3.15Å; A194-N199 PolarHBondContact O-ND2 3.41Å; A194-V201 HydrophobicContact CB-CG2 3.81Å; A194-Y504 HydrophobicContact CB-CD1 3.62Å; A194-Y504 HydrophobicContact CB-CE1 3.61Å; A194-Y504 HydrophobicContact CB-CG 4.22Å
195	L	98.9	Very high	98.9	Very high	0 Å²	0	3.5 Å²	3.5	0%	0	2%	0.018	C	C	.	.	H	α-helix	trans	-72.3	-33.3	179.5	-66.5	179.8	0	0	0	112.8	W88 L100 L191 P193 C197 G198 V201 F232 V236 V237	W88-L195 HydrophobicContact CH2-CD2 4.49Å; W88-L195 HydrophobicContact CZ2-CB 4.41Å; W88-L195 HydrophobicContact CZ2-CD2 3.99Å; L100-L195 HydrophobicContact CD2-CB 4.09Å; L100-L195 HydrophobicContact CD2-CD1 4.11Å; L191-L195 HydrophobicContact CD1-CD1 4.26Å; L191-L195 HydrophobicContact CD2-CD1 3.43Å; L191-L195 VanDerWaalsContact CD2-CD1 3.43Å; L191-L195 HydrophobicContact CD2-CG 4.48Å; L191-L195 HydrophobicContact CG-CD1 3.53Å; L191-L195 HydrophobicContact CG-CG 4.19Å; L191-L195 WeakPolarHBondContact O-CB 3.11Å; L191-L195 WeakPolarHBondContact O-CG 3.36Å; L191-L195 PolarHBondContact O-N 2.89Å; P193-L195 PolarHBondContact O-N 3.38Å; L195-C197 VanDerWaalsContact C-N 3.32Å; L195-C197 PolarHBondContact O-N 2.88Å; L195-G198 PolarHBondContact O-N 3.15Å; L195-V201 HydrophobicContact CD2-CG2 4.28Å; L195-F232 HydrophobicContact CD1-CD1 4.49Å; L195-F232 HydrophobicContact CD1-CE1 3.71Å; L195-F232 HydrophobicContact CD1-CZ 3.89Å; L195-V236 HydrophobicContact CD2-CG1 3.48Å; L195-V236 VanDerWaalsContact CD2-CG1 3.48Å; L195-V237 HydrophobicContact CD1-CG2 3.91Å; L195-V237 HydrophobicContact CD2-CG2 4.02Å
196	S	98.8	Very high	98.9	Very high	0 Å²	0	2.7 Å²	2.7	0%	0	2%	0.015	C	C	.	.	H	α-helix	trans	-58.9	-46.2	174.3	-169.1	0	0	0	0	111.1	R96 Y144 A148 A192 P193 G198	R96-S196 PolarHBondContact NE-O 3.1Å; R96-S196 PolarHBondContact NH2-O 2.98Å; Y144-S196 WeakPolarHBondContact O-CB 3.47Å; Y144-S196 PolarHBondContact O-OG 3.1Å; A148-S196 WeakPolarHBondContact CA-OG 3.39Å; A148-S196 PolarHBondContact N-OG 2.86Å; A148-S196 VanDerWaalsContact N-OG 3.13Å; A192-S196 VanDerWaalsContact O-CB 3.31Å; A192-S196 WeakPolarHBondContact O-CB 3.5Å; A192-S196 PolarHBondContact O-N 3.2Å; P193-S196 PolarHBondContact O-N 2.96Å; S196-G198 PolarHBondContact O-N 3.06Å
197	C	98.9	Very high	98.8	Very high	7 Å²	7	4.4 Å²	4.4	5%	0.047	2%	0.022	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-12	174.2	-62.2	0	0	0	0	114.2	I151 P170 P193 L195 N199 Y504	I151-C197 HydrophobicContact CD1-CB 4.28Å; P170-C197 WeakPolarHBondContact CB-O 3.28Å; P193-C197 PolarHBondContact O-N 2.89Å; P193-C197 VanDerWaalsContact O-N 3.08Å; P193-C197 PolarHBondContact O-SG 2.8Å; L195-C197 VanDerWaalsContact C-N 3.32Å; L195-C197 PolarHBondContact O-N 2.88Å; C197-N199 WeakPolarHBondContact CB-ND2 3.33Å; C197-Y504 WeakPolarHBondContact CB-O 3.42Å
198	G	98.7	Very high	98.8	Very high	4 Å²	4	6.4 Å²	6.4	4%	0.041	3%	0.032	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.1	21.1	177.1	0	0	0	0	0	115	W88 P170 A194 L195 S196	W88-G198 PolarHBondContact NE1-O 3.26Å; P170-G198 WeakPolarHBondContact CB-O 3.18Å; A194-G198 PolarHBondContact O-N 2.75Å; L195-G198 PolarHBondContact O-N 3.15Å; S196-G198 PolarHBondContact O-N 3.06Å
199	N	98.9	Very high	98.8	Very high	0 Å²	0	6.5 Å²	6.5	0%	0	3%	0.032	C	C	.	.			trans	-75.6	168.6	172.4	-60.4	-79.9	0	0	0	111.3	W88 P170 I171 G172 A194 C197 Y504	W88-N199 PolarHBondContact NE1-O 3.43Å; P170-N199 WeakPolarHBondContact CB-OD1 3.46Å; I171-N199 PolarHBondContact N-OD1 3.33Å; G172-N199 PolarHBondContact N-OD1 3.24Å; G172-N199 WeakPolarHBondContact O-CA 3.42Å; G172-N199 WeakPolarHBondContact O-CB 3.26Å; G172-N199 PolarHBondContact O-OD1 3.2Å; A194-N199 HydrophobicContact CB-CB 4.43Å; A194-N199 WeakPolarHBondContact O-CB 3.31Å; A194-N199 PolarHBondContact O-N 3.15Å; A194-N199 PolarHBondContact O-ND2 3.41Å; C197-N199 WeakPolarHBondContact CB-ND2 3.33Å; N199-Y504 PolarHBondContact ND2-O 2.96Å
200	T	98.9	Very high	98.8	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	-108.2	156.6	160.9	58	0	0	0	0	110	A78 A81 M82 G172 C174 V236	A78-T200 PolarHBondContact O-OG1 3.19Å; A81-T200 HydrophobicContact CB-CG2 3.84Å; M82-T200 HydrophobicContact CG-CG2 3.46Å; M82-T200 VanDerWaalsContact CG-CG2 3.46Å; M82-T200 WeakPolarHBondContact CG-OG1 3.42Å; M82-T200 HydrophobicContact SD-CG2 3.65Å; G172-T200 PolarHBondContact O-N 2.99Å; G172-T200 VanDerWaalsContact O-N 3.15Å; C174-T200 PolarHBondContact N-O 3.06Å; T200-V236 CarbonylContact C-O 3.53Å; T200-V236 WeakPolarHBondContact CA-O 3.39Å; T200-V236 HydrophobicContact CG2-CB 4.31Å; T200-V236 HydrophobicContact CG2-CG1 4.4Å; T200-V236 HydrophobicContact CG2-CG2 4.16Å
201	V	98.9	Very high	98.8	Very high	1 Å²	1	5.5 Å²	5.5	1%	0.006	3%	0.028	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	134.2	-169.1	-172.9	0	0	0	0	111.2	C174 A176 A194 L195 I203 V236 N238	C174-V201 VanDerWaalsContact O-CA 3.31Å; C174-V201 WeakPolarHBondContact O-CA 3.38Å; A176-V201 HydrophobicContact CB-CG1 4.19Å; A194-V201 HydrophobicContact CB-CG2 3.81Å; L195-V201 HydrophobicContact CD2-CG2 4.28Å; V201-I203 HydrophobicContact CG1-CB 4.08Å; V201-V236 PolarHBondContact N-O 3.04Å; V201-N238 PolarHBondContact O-N 3.39Å; V201-N238 PolarHBondContact O-ND2 2.95Å
202	V	98.9	Very high	98.8	Very high	0 Å²	0	5.5 Å²	5.5	0%	0	3%	0.029	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	109.5	164.1	-179.5	0	0	0	0	107	A74 V75 A78 I173 C174 G175 A176 N238 I240 I251	A74-V202 HydrophobicContact CB-CG1 3.83Å; A74-V202 HydrophobicContact CB-CG2 4.15Å; V75-V202 HydrophobicContact CG2-CG2 4.12Å; A78-V202 HydrophobicContact CB-CG2 3.96Å; I173-V202 HydrophobicContact CG2-CG2 4.22Å; C174-V202 PolarHBondContact O-N 3.24Å; G175-V202 CarbonylContact C-O 3.53Å; G175-V202 WeakPolarHBondContact CA-O 3.37Å; A176-V202 PolarHBondContact N-O 3.48Å; V202-N238 WeakPolarHBondContact CA-O 3.17Å; V202-N238 HydrophobicContact CG2-CB 4.46Å; V202-I240 HydrophobicContact CG1-CG1 3.77Å; V202-I251 HydrophobicContact CG1-CD1 4.24Å; V202-I251 HydrophobicContact CG1-CG1 4.39Å
203	I	98.8	Very high	98.8	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	-115.9	132.7	-172.3	-175.1	149	0	0	0	112.4	A176 I178 L187 V201 N238 I239 I240	A176-I203 HydrophobicContact CB-CB 4.06Å; A176-I203 HydrophobicContact CB-CD1 3.68Å; A176-I203 HydrophobicContact CB-CG1 3.87Å; A176-I203 CarbonylContact O-C 3.54Å; A176-I203 VanDerWaalsContact O-CA 3.27Å; A176-I203 WeakPolarHBondContact O-CA 3.47Å; I178-I203 HydrophobicContact CD1-CD1 4.36Å; I178-I203 HydrophobicContact CG2-CD1 4.04Å; L187-I203 HydrophobicContact CD1-CD1 3.23Å; L187-I203 HydrophobicContact CD1-CG1 4.09Å; L187-I203 HydrophobicContact CD1-CG2 4.26Å; V201-I203 HydrophobicContact CG1-CB 4.08Å; I203-N238 WeakPolarHBondContact CG2-O 3.39Å; I203-N238 PolarHBondContact N-O 3.09Å; I203-I239 HydrophobicContact CG2-CB 4.23Å; I203-I239 HydrophobicContact CG2-CG1 3.84Å; I203-I239 HydrophobicContact CG2-CG2 4.24Å; I203-I239 WeakPolarHBondContact O-CA 3.4Å; I203-I240 PolarHBondContact O-N 3.15Å
204	K	98.9	Very high	98.8	Very high	4 Å²	4	5.6 Å²	5.6	2%	0.017	3%	0.029	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	104.5	174.8	-178	-103.1	127.9	130.6	0	110.4	A176 I177 I178 E207 I240 G242 F243 A247 I251	A176-K204 PolarHBondContact O-N 3.29Å; I177-K204 HydrophobicContact CG2-CD 4.28Å; I178-K204 PolarHBondContact N-O 3.42Å; K204-E207 IonicContact NZ-OE2 2.76Å; K204-E207 PolarHBondContact NZ-OE2 2.79Å; K204-I240 WeakPolarHBondContact CA-O 3.39Å; K204-I240 WeakPolarHBondContact CG-O 3.29Å; K204-G242 WeakPolarHBondContact CE-O 3.46Å; K204-G242 PolarHBondContact NZ-O 2.86Å; K204-F243 VanDerWaalsContact NZ-C 3.34Å; K204-A247 HydrophobicContact CG-CB 4.02Å; K204-I251 HydrophobicContact CB-CD1 3.63Å
205	P	98.9	Very high	98.8	Very high	1 Å²	1	6.1 Å²	6.1	1%	0.006	3%	0.031	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	145	172.2	32	-34.7	0	0	0	111.2	I178 P210 A213 I239 P241	I178-P205 HydrophobicContact CD1-CB 4.11Å; I178-P205 HydrophobicContact CG1-CB 4.25Å; P205-P210 HydrophobicContact CG-CB 4.31Å; P205-A213 HydrophobicContact CB-CB 3.72Å; P205-A213 HydrophobicContact CG-CB 3.97Å; P205-I239 HydrophobicContact CG-CG2 4.14Å; P205-P241 HydrophobicContact CG-CB 4.35Å
206	A	98.8	Very high	98.8	Very high	4 Å²	4	6.1 Å²	6.1	3%	0.033	3%	0.031	C	C	.	.			trans	-51.7	142	176.7	0	0	0	0	0	112	I178 W180 Q208 T209	I178-A206 WeakPolarHBondContact O-CB 3.41Å; I178-A206 PolarHBondContact O-N 3.21Å; W180-A206 HydrophobicContact CB-CB 3.81Å; A206-Q208 PolarHBondContact O-N 3.28Å; A206-T209 CarbonylContact O-C 3.46Å; A206-T209 PolarHBondContact O-N 3.09Å
207	E	98.7	Very high	98.8	Very high	47 Å²	47	6.1 Å²	6.1	22%	0.22	3%	0.031	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-27.8	-177.5	51.6	-92.2	-121.8	0	0	112.3	F49 K204 T209 F243 G244	F49-E207 HydrophobicContact CE2-CB 4.15Å; F49-E207 VanDerWaalsContact CE2-O 3.28Å; F49-E207 WeakPolarHBondContact CE2-O 3.28Å; K204-E207 IonicContact NZ-OE2 2.76Å; K204-E207 PolarHBondContact NZ-OE2 2.79Å; E207-T209 VanDerWaalsContact C-N 3.3Å; E207-T209 PolarHBondContact O-N 3.48Å; E207-F243 HydrophobicContact CB-CD1 3.83Å; E207-F243 HydrophobicContact CB-CE1 3.93Å; E207-F243 HydrophobicContact CG-CD1 3.67Å; E207-F243 HydrophobicContact CG-CE1 3.92Å; E207-G244 PolarHBondContact OE1-N 3.42Å
208	Q	98.8	Very high	98.8	Very high	43 Å²	43	6.1 Å²	6.1	20%	0.201	3%	0.032	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-25.6	172.9	-62.5	88	-15	0	0	113.1	T51 W180 A206 I364 D365	T51-Q208 PolarHBondContact OG1-O 2.95Å; W180-Q208 HydrophobicContact CB-CB 3.97Å; W180-Q208 HydrophobicContact CG-CB 4.45Å; A206-Q208 PolarHBondContact O-N 3.28Å; Q208-I364 HydrophobicContact CB-CD1 4.23Å; Q208-I364 HydrophobicContact CB-CG1 3.91Å; Q208-I364 HydrophobicContact CG-CG1 4.07Å; Q208-D365 PolarHBondContact NE2-OD2 3.06Å
209	T	98.8	Very high	98.7	Very high	1 Å²	1	6 Å²	6	1%	0.006	3%	0.03	C	C	.	.			trans	-141.4	50.8	-165.5	53.4	0	0	0	0	115.1	D121 T122 W180 P183 A206 E207 L211 I364	D121-T209 HydrophobicContact CB-CG2 4.35Å; D121-T209 WeakPolarHBondContact OD2-CA 3.27Å; T122-T209 HydrophobicContact CG2-CG2 3.57Å; W180-T209 VanDerWaalsContact CA-OG1 3.22Å; W180-T209 WeakPolarHBondContact CA-OG1 3.24Å; W180-T209 HydrophobicContact CB-CG2 3.81Å; W180-T209 WeakPolarHBondContact CB-OG1 3.14Å; P183-T209 VanDerWaalsContact CG-CB 3.4Å; P183-T209 HydrophobicContact CG-CG2 3.78Å; P183-T209 WeakPolarHBondContact CG-OG1 2.96Å; A206-T209 CarbonylContact O-C 3.46Å; A206-T209 PolarHBondContact O-N 3.09Å; E207-T209 VanDerWaalsContact C-N 3.3Å; E207-T209 PolarHBondContact O-N 3.48Å; T209-L211 VanDerWaalsContact C-N 3.34Å; T209-L211 PolarHBondContact O-N 3.41Å; T209-I364 HydrophobicContact CG2-CD1 3.88Å
210	P	98.8	Very high	98.6	Very high	0 Å²	0	6 Å²	6	0%	0	3%	0.03	C	C	.	.			trans	-76	-18.5	-174.4	31.7	-36.1	0	0	0	113.9	F49 T51 V63 P205 T212 A213 L214 P241	F49-P210 HydrophobicContact CE2-CG 4.22Å; F49-P210 HydrophobicContact CZ-CG 4.29Å; T51-P210 HydrophobicContact CG2-CG 4.44Å; V63-P210 HydrophobicContact CB-CG 4.43Å; V63-P210 HydrophobicContact CG1-CB 4.37Å; V63-P210 HydrophobicContact CG1-CG 4.36Å; V63-P210 HydrophobicContact CG2-CG 3.88Å; P205-P210 HydrophobicContact CG-CB 4.31Å; P210-T212 PolarHBondContact O-N 3.38Å; P210-A213 PolarHBondContact O-N 2.95Å; P210-L214 HydrophobicContact CB-CD1 4.46Å; P210-L214 WeakPolarHBondContact O-CG 3.45Å; P210-L214 PolarHBondContact O-N 2.94Å; P210-L214 VanDerWaalsContact O-N 3.15Å; P210-P241 HydrophobicContact CB-CB 4.13Å
211	L	98.8	Very high	98.4	Very high	2 Å²	2	8.8 Å²	8.8	1%	0.01	4%	0.042	C	C	.	.	H	α-helix	trans	-70.3	-42.9	-156.3	-61.4	-174	0	0	0	114.2	V29 T51 I60 V63 L117 D121 T209 L214 H215	V29-L211 HydrophobicContact CG1-CD1 4.28Å; V29-L211 HydrophobicContact CG1-CD2 3.92Å; V29-L211 HydrophobicContact CG2-CD1 4.18Å; T51-L211 HydrophobicContact CG2-CD1 3.92Å; T51-L211 HydrophobicContact CG2-CD2 3.88Å; T51-L211 HydrophobicContact CG2-CG 3.94Å; I60-L211 HydrophobicContact CD1-CD1 4.35Å; I60-L211 HydrophobicContact CG2-CD1 3.89Å; V63-L211 HydrophobicContact CG2-CD2 3.93Å; L117-L211 HydrophobicContact CD2-CD1 4.45Å; D121-L211 VanDerWaalsContact OD2-CB 3.31Å; D121-L211 WeakPolarHBondContact OD2-CB 3.45Å; D121-L211 WeakPolarHBondContact OD2-CG 3.24Å; D121-L211 PolarHBondContact OD2-N 2.62Å; D121-L211 VanDerWaalsContact OD2-N 3.07Å; T209-L211 VanDerWaalsContact C-N 3.34Å; T209-L211 PolarHBondContact O-N 3.41Å; L211-L214 PolarHBondContact O-N 3.14Å; L211-H215 PolarHBondContact O-N 3.28Å
212	T	98.8	Very high	98	Very high	1 Å²	1	11.1 Å²	11.1	1%	0.006	5%	0.053	C	C	.	.	H	α-helix	trans	-70.2	-34.7	-179.7	51.3	0	0	0	0	111.9	L114 L117 E118 P210 L214 H215 I216	L114-T212 HydrophobicContact CD2-CG2 4.22Å; L117-T212 HydrophobicContact CB-CG2 3.62Å; E118-T212 HydrophobicContact CB-CG2 4.12Å; E118-T212 WeakPolarHBondContact OE2-CB 3.38Å; E118-T212 WeakPolarHBondContact OE2-CG2 3.07Å; E118-T212 PolarHBondContact OE2-OG1 3.36Å; P210-T212 PolarHBondContact O-N 3.38Å; T212-L214 PolarHBondContact O-N 2.79Å; T212-H215 PolarHBondContact O-N 2.9Å; T212-I216 WeakPolarHBondContact O-CG1 3.48Å; T212-I216 PolarHBondContact O-N 2.98Å
213	A	98.9	Very high	97.4	Very high	1 Å²	1	11.3 Å²	11.3	1%	0.008	5%	0.054	C	C	.	.	H	α-helix	trans	-61.1	-44.4	172.5	0	0	0	0	0	111.9	L187 P205 P210 H215 I216 G217 I239	L187-A213 HydrophobicContact CD2-CB 3.89Å; P205-A213 HydrophobicContact CB-CB 3.72Å; P205-A213 HydrophobicContact CG-CB 3.97Å; P210-A213 PolarHBondContact O-N 2.95Å; A213-H215 VanDerWaalsContact C-N 3.35Å; A213-H215 PolarHBondContact O-N 2.89Å; A213-I216 WeakPolarHBondContact O-CB 3.46Å; A213-I216 PolarHBondContact O-N 2.86Å; A213-G217 PolarHBondContact O-N 2.92Å; A213-I239 HydrophobicContact CB-CG2 4.23Å; A213-I239 WeakPolarHBondContact O-CD1 3.5Å
214	L	98.9	Very high	96.5	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-64.1	-39.7	174.9	-61.7	178.7	0	0	0	111.6	Y31 K33 W40 V63 P210 L211 T212 I216 G217 S218 I239 P241	Y31-L214 WeakPolarHBondContact O-CD1 3.16Å; K33-L214 VanDerWaalsContact O-CD2 3.31Å; K33-L214 WeakPolarHBondContact O-CD2 3.47Å; W40-L214 HydrophobicContact CH2-CB 4.39Å; W40-L214 VanDerWaalsContact CH2-O 3.26Å; W40-L214 WeakPolarHBondContact CH2-O 3.29Å; W40-L214 HydrophobicContact CZ3-CD2 4.18Å; V63-L214 HydrophobicContact CG1-CD1 3.8Å; P210-L214 HydrophobicContact CB-CD1 4.46Å; P210-L214 WeakPolarHBondContact O-CG 3.45Å; P210-L214 PolarHBondContact O-N 2.94Å; P210-L214 VanDerWaalsContact O-N 3.15Å; L211-L214 PolarHBondContact O-N 3.14Å; T212-L214 PolarHBondContact O-N 2.79Å; L214-I216 VanDerWaalsContact C-N 3.28Å; L214-I216 PolarHBondContact O-N 3.09Å; L214-G217 WeakPolarHBondContact O-CA 3.41Å; L214-G217 PolarHBondContact O-N 3.19Å; L214-S218 PolarHBondContact O-N 2.9Å; L214-I239 HydrophobicContact CD2-CB 4.42Å; L214-I239 HydrophobicContact CD2-CG2 3.91Å; L214-P241 HydrophobicContact CD1-CG 4.38Å; L214-P241 HydrophobicContact CD2-CG 4.06Å
215	H	98.8	Very high	95.4	Very high	12 Å²	12	22.8 Å²	22.8	6%	0.056	11%	0.106	C	C	.	.	H	α-helix	trans	-59.7	-38.7	174.1	-166.1	90.8	0	0	0	112.2	Y31 D110 L113 L114 L117 L211 T212 A213 G217 S218 L219	Y31-H215 HydrophobicContact CD2-CB 4.3Å; Y31-H215 AromaticContact CD2-ND1 3.57Å; Y31-H215 AromaticContact CE2-CE1 3.85Å; Y31-H215 AromaticContact CE2-ND1 3.45Å; Y31-H215 WeakPolarHBondContact CE2-ND1 2.93Å; D110-H215 IonicContact OD2-CE1 3.88Å; D110-H215 IonicContact OD2-NE2 3.06Å; D110-H215 PolarHBondContact OD2-NE2 3.13Å; L113-H215 VanDerWaalsContact CD2-CE1 3.41Å; L113-H215 WeakPolarHBondContact CD2-CE1 3.33Å; L114-H215 HydrophobicContact CD2-CB 3.84Å; L117-H215 HydrophobicContact CD1-CB 4.32Å; L211-H215 PolarHBondContact O-N 3.28Å; T212-H215 PolarHBondContact O-N 2.9Å; A213-H215 VanDerWaalsContact C-N 3.35Å; A213-H215 PolarHBondContact O-N 2.89Å; H215-G217 VanDerWaalsContact C-N 3.32Å; H215-G217 PolarHBondContact O-N 2.82Å; H215-S218 WeakPolarHBondContact O-CA 3.17Å; H215-S218 VanDerWaalsContact O-CB 3.29Å; H215-S218 WeakPolarHBondContact O-CB 3.28Å; H215-S218 PolarHBondContact O-N 2.78Å; H215-S218 PolarHBondContact O-OG 3.41Å; H215-L219 PolarHBondContact O-N 2.69Å
216	I	98.7	Very high	94.1	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-60.5	-39	173.2	-66.2	-54.5	0	0	0	112.2	V107 L114 L184 L187 M188 T212 A213 L214 S218 L219 I220	V107-I216 HydrophobicContact CG2-CD1 3.64Å; L114-I216 HydrophobicContact CD1-CD1 4.22Å; L184-I216 HydrophobicContact CD1-CD1 3.8Å; L184-I216 HydrophobicContact CD1-CG1 3.49Å; L184-I216 VanDerWaalsContact CD1-CG1 3.49Å; L187-I216 HydrophobicContact CD2-CB 3.99Å; L187-I216 HydrophobicContact CD2-CG1 3.84Å; L187-I216 HydrophobicContact CD2-CG2 4.18Å; M188-I216 HydrophobicContact CE-CD1 4.14Å; M188-I216 HydrophobicContact CE-CG1 3.84Å; M188-I216 HydrophobicContact CE-CG2 4Å; T212-I216 WeakPolarHBondContact O-CG1 3.48Å; T212-I216 PolarHBondContact O-N 2.98Å; A213-I216 WeakPolarHBondContact O-CB 3.46Å; A213-I216 PolarHBondContact O-N 2.86Å; L214-I216 VanDerWaalsContact C-N 3.28Å; L214-I216 PolarHBondContact O-N 3.09Å; I216-S218 PolarHBondContact O-N 3.33Å; I216-L219 HydrophobicContact CD1-CD1 3.95Å; I216-L219 PolarHBondContact O-N 2.88Å; I216-I220 HydrophobicContact CG2-CD1 3.89Å; I216-I220 HydrophobicContact CG2-CG1 4.3Å; I216-I220 WeakPolarHBondContact O-CG1 3.37Å; I216-I220 PolarHBondContact O-N 2.84Å
217	G	98.5	Very high	92	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-54.3	-38	171.9	0	0	0	0	0	112.4	F35 A213 L214 H215 I220 K221	F35-G217 VanDerWaalsContact CE2-O 3.23Å; F35-G217 WeakPolarHBondContact CE2-O 3.33Å; F35-G217 WeakPolarHBondContact CZ-O 3.38Å; A213-G217 PolarHBondContact O-N 2.92Å; L214-G217 WeakPolarHBondContact O-CA 3.41Å; L214-G217 PolarHBondContact O-N 3.19Å; H215-G217 VanDerWaalsContact C-N 3.32Å; H215-G217 PolarHBondContact O-N 2.82Å; G217-I220 PolarHBondContact O-N 3.39Å; G217-K221 WeakPolarHBondContact O-CB 3.39Å; G217-K221 PolarHBondContact O-N 2.98Å
218	S	98	Very high	89.9	Confident	8 Å²	8	44 Å²	44	6%	0.056	20%	0.199	C	C	.	.	H	α-helix	trans	-66.3	-38	175.1	87	0	0	0	0	113.5	Y31 L214 H215 I216 K221 E222	Y31-S218 VanDerWaalsContact CE1-CB 3.47Å; Y31-S218 WeakPolarHBondContact CE2-OG 3.5Å; Y31-S218 WeakPolarHBondContact OH-CB 3.41Å; Y31-S218 PolarHBondContact OH-OG 3.05Å; L214-S218 PolarHBondContact O-N 2.9Å; H215-S218 WeakPolarHBondContact O-CA 3.17Å; H215-S218 VanDerWaalsContact O-CB 3.29Å; H215-S218 WeakPolarHBondContact O-CB 3.28Å; H215-S218 PolarHBondContact O-N 2.78Å; H215-S218 PolarHBondContact O-OG 3.41Å; I216-S218 PolarHBondContact O-N 3.33Å; S218-K221 PolarHBondContact O-N 3.14Å; S218-E222 WeakPolarHBondContact O-CB 3.35Å; S218-E222 PolarHBondContact O-N 3.14Å
219	L	97.9	Very high	88	Confident	1 Å²	1	45.7 Å²	45.7	1%	0.005	21%	0.206	C	C	.	.	H	α-helix	trans	-69.8	-39.6	178.6	-57.6	-173.1	0	0	0	111.4	L103 L106 V107 D110 L114 H215 I216 K221 E222 Q223	L103-L219 HydrophobicContact CD1-CB 3.85Å; L106-L219 HydrophobicContact CB-CB 4.27Å; L106-L219 HydrophobicContact CB-CD1 4.12Å; L106-L219 HydrophobicContact CB-CD2 4.37Å; L106-L219 HydrophobicContact CB-CG 4.49Å; L106-L219 HydrophobicContact CD1-CB 4.33Å; V107-L219 HydrophobicContact CG2-CD1 3.93Å; D110-L219 WeakPolarHBondContact OD2-CD2 3.5Å; L114-L219 HydrophobicContact CD1-CD1 4.43Å; H215-L219 PolarHBondContact O-N 2.69Å; I216-L219 HydrophobicContact CD1-CD1 3.95Å; I216-L219 PolarHBondContact O-N 2.88Å; L219-K221 VanDerWaalsContact C-N 3.32Å; L219-K221 PolarHBondContact O-N 3.22Å; L219-E222 PolarHBondContact O-N 3Å; L219-Q223 PolarHBondContact O-N 2.77Å
220	I	96.8	Very high	86.6	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-58.9	-46	172.3	-69.6	171.2	0	0	0	110	F35 L103 I216 G217 F232 V237	F35-I220 HydrophobicContact CE1-CG2 4.32Å; F35-I220 HydrophobicContact CZ-CG2 4.28Å; L103-I220 HydrophobicContact CD1-CG1 4.1Å; L103-I220 HydrophobicContact CD2-CG1 4.23Å; I216-I220 HydrophobicContact CG2-CD1 3.89Å; I216-I220 HydrophobicContact CG2-CG1 4.3Å; I216-I220 WeakPolarHBondContact O-CG1 3.37Å; I216-I220 PolarHBondContact O-N 2.84Å; G217-I220 PolarHBondContact O-N 3.39Å; I220-F232 HydrophobicContact CG1-CD2 4.29Å; I220-F232 HydrophobicContact CG2-CB 3.89Å; I220-F232 HydrophobicContact CG2-CD2 4.03Å; I220-F232 HydrophobicContact CG2-CG 4.26Å; I220-V237 HydrophobicContact CD1-CB 3.98Å; I220-V237 HydrophobicContact CD1-CG1 3.78Å; I220-V237 HydrophobicContact CD1-CG2 4.06Å
221	K	93.3	Very high	86.1	Confident	58 Å²	58	48.8 Å²	48.8	25%	0.252	23%	0.232	S	C	.	.	H	α-helix	trans	-64.7	-43.7	175.2	-175.3	177	-173	151	0	112.6	F35 N38 G217 S218 L219 Q223 R224 L225	F35-K221 HydrophobicContact CE2-CB 4.06Å; F35-K221 HydrophobicContact CZ-CB 4.23Å; N38-K221 WeakPolarHBondContact O-CD 3.46Å; N38-K221 WeakPolarHBondContact O-CE 3.45Å; N38-K221 PolarHBondContact O-NZ 3.41Å; G217-K221 WeakPolarHBondContact O-CB 3.39Å; G217-K221 PolarHBondContact O-N 2.98Å; S218-K221 PolarHBondContact O-N 3.14Å; L219-K221 VanDerWaalsContact C-N 3.32Å; L219-K221 PolarHBondContact O-N 3.22Å; K221-Q223 VanDerWaalsContact C-N 3.32Å; K221-Q223 PolarHBondContact O-N 3.28Å; K221-R224 WeakPolarHBondContact O-CB 3.49Å; K221-R224 PolarHBondContact O-N 3.15Å; K221-R224 VanDerWaalsContact O-N 3.1Å; K221-L225 PolarHBondContact O-N 2.99Å
222	E	91.7	Very high	85.9	Confident	51 Å²	51	48.7 Å²	48.7	24%	0.238	23%	0.232	C	C	.	.	H	α-helix	trans	-59.5	-44.3	-179.4	-168.8	-162.1	138.1	0	0	111.3	R109 S218 L219 R224 L225 R226	R109-E222 IonicContact CZ-OE1 3.08Å; R109-E222 IonicContact CZ-OE2 3.73Å; R109-E222 VanDerWaalsContact NH1-CD 3.25Å; R109-E222 IonicContact NH1-OE1 3.58Å; R109-E222 PolarHBondContact NH1-OE1 3.07Å; R109-E222 IonicContact NH1-OE2 3.15Å; R109-E222 PolarHBondContact NH1-OE2 3.27Å; R109-E222 IonicContact NH2-OE2 2.72Å; R109-E222 PolarHBondContact NH2-OE2 2.97Å; S218-E222 WeakPolarHBondContact O-CB 3.35Å; S218-E222 PolarHBondContact O-N 3.14Å; L219-E222 PolarHBondContact O-N 3Å; E222-R224 PolarHBondContact O-N 2.82Å; E222-L225 PolarHBondContact O-N 3.34Å; E222-R226 PolarHBondContact O-N 3.13Å; E222-R226 IonicContact OE1-CZ 2.69Å; E222-R226 IonicContact OE1-NE 3.96Å; E222-R226 PolarHBondContact OE1-NE 3.42Å; E222-R226 IonicContact OE1-NH2 3.99Å; E222-R226 PolarHBondContact OE1-NH2 3.38Å
223	Q	86.9	Confident	85.8	Confident	4 Å²	4	49.1 Å²	49.1	2%	0.019	24%	0.235	C	C	.	.	H	α-helix	trans	-55	-35.6	177	-168.9	-168.5	53.7	0	0	112	L99 K102 L106 L219 K221	L99-Q223 PolarHBondContact O-NE2 2.81Å; K102-Q223 VanDerWaalsContact CB-NE2 3.27Å; K102-Q223 HydrophobicContact CG-CG 4.01Å; L106-Q223 HydrophobicContact CD1-CB 4.09Å; L219-Q223 PolarHBondContact O-N 2.77Å; K221-Q223 VanDerWaalsContact C-N 3.32Å; K221-Q223 PolarHBondContact O-N 3.28Å
224	R	78.7	Confident	85.8	Confident	116 Å²	116	51.9 Å²	51.9	44%	0.438	25%	0.253	S	S	.	.	H	α-helix	trans	-71.6	-33.1	178.7	179.5	62.4	-178.9	173.9	4.3	113.4	K221 E222 R226	K221-R224 WeakPolarHBondContact O-CB 3.49Å; K221-R224 PolarHBondContact O-N 3.15Å; K221-R224 VanDerWaalsContact O-N 3.1Å; E222-R224 PolarHBondContact O-N 2.82Å; R224-R226 VanDerWaalsContact C-N 3.3Å; R224-R226 PolarHBondContact O-N 3.11Å
225	L	76.8	Confident	85.8	Confident	129 Å²	129	51.9 Å²	51.9	68%	0.675	25%	0.253	S	S	*	.	H	α-helix	trans	-76.4	-16.6	-176.7	-66.6	175.1	0	0	0	113.2	K221 E222 R227	K221-L225 PolarHBondContact O-N 2.99Å; E222-L225 PolarHBondContact O-N 3.34Å; L225-R227 PolarHBondContact O-N 3.11Å
226	R	70.6	Confident	85.8	Confident	103 Å²	103	51.3 Å²	51.3	39%	0.389	25%	0.25	S	C	.	.			trans	-75.4	110.8	178.6	-66.3	-177.6	179.4	-148.1	3.7	110.3	E222 R224 T228 Q229	E222-R226 PolarHBondContact O-N 3.13Å; E222-R226 IonicContact OE1-CZ 2.69Å; E222-R226 IonicContact OE1-NE 3.96Å; E222-R226 PolarHBondContact OE1-NE 3.42Å; E222-R226 IonicContact OE1-NH2 3.99Å; E222-R226 PolarHBondContact OE1-NH2 3.38Å; R224-R226 VanDerWaalsContact C-N 3.3Å; R224-R226 PolarHBondContact O-N 3.11Å; R226-T228 PolarHBondContact O-N 3.29Å; R226-Q229 PolarHBondContact O-N 2.88Å; R226-Q229 VanDerWaalsContact O-O 3.12Å
227	R	55.6	Low	85.8	Confident	258 Å²	258	51.3 Å²	51.3	97%	0.974	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-16.7	-174.7	-68.3	-175.7	175.2	-179.3	-1.6	115.7	L225	L225-R227 PolarHBondContact O-N 3.11Å
228	T	53	Low	85.8	Confident	137 Å²	137	51.3 Å²	51.3	84%	0.84	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.3	-15.2	-174.5	53.1	0	0	0	0	114.2	R226	R226-T228 PolarHBondContact O-N 3.29Å
229	Q	60.1	Low	85.8	Confident	77 Å²	77	51 Å²	51	36%	0.36	25%	0.247	S	C	.	.	S	Bend	trans	-149.9	120.4	-179.5	-166	168.5	3	0	0	109.4	R226 G231	R226-Q229 PolarHBondContact O-N 2.88Å; R226-Q229 VanDerWaalsContact O-O 3.12Å; Q229-G231 PolarHBondContact O-N 2.7Å
230	A	68.4	Low	85.9	Confident	66 Å²	66	50.9 Å²	50.9	55%	0.545	25%	0.247	S	C	.	.			trans	-63.3	106.1	176.5	0	0	0	0	0	109.4	L99	L99-A230 WeakPolarHBondContact CD2-O 3.36Å
231	G	88.3	Confident	86	Confident	1 Å²	1	50.9 Å²	50.9	1%	0.01	25%	0.247	C	C	.	.			trans	-66.8	-177.8	173.6	0	0	0	0	0	113.6	Q229	Q229-G231 PolarHBondContact O-N 2.7Å
232	F	95.9	Very high	86.2	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.235	C	C	.	.	S	Bend	trans	-47.3	126.2	178.4	-73.8	-74.7	0	0	0	112.2	N38 W88 L99 L100 L103 L195 I220 V236	N38-F232 PolarHBondContact ND2-O 3.47Å; W88-F232 HydrophobicContact CH2-CD1 4.16Å; W88-F232 AromaticContact CH2-CE1 3.97Å; W88-F232 HydrophobicContact CH2-CE1 3.97Å; W88-F232 HydrophobicContact CZ3-CD1 4.07Å; W88-F232 HydrophobicContact CZ3-CE1 4.25Å; L99-F232 HydrophobicContact CB-CD1 4.34Å; L99-F232 HydrophobicContact CB-CD2 4.46Å; L99-F232 HydrophobicContact CB-CE1 3.8Å; L99-F232 HydrophobicContact CB-CE2 3.95Å; L99-F232 HydrophobicContact CB-CZ 3.59Å; L99-F232 HydrophobicContact CD1-CD1 3.96Å; L99-F232 HydrophobicContact CD1-CE1 4.11Å; L99-F232 HydrophobicContact CD1-CG 4.38Å; L100-F232 HydrophobicContact CD2-CZ 4.23Å; L103-F232 HydrophobicContact CB-CE2 4.32Å; L103-F232 HydrophobicContact CD2-CE2 4.27Å; L195-F232 HydrophobicContact CD1-CD1 4.49Å; L195-F232 HydrophobicContact CD1-CE1 3.71Å; L195-F232 HydrophobicContact CD1-CZ 3.89Å; I220-F232 HydrophobicContact CG1-CD2 4.29Å; I220-F232 HydrophobicContact CG2-CB 3.89Å; I220-F232 HydrophobicContact CG2-CD2 4.03Å; I220-F232 HydrophobicContact CG2-CG 4.26Å; F232-V236 HydrophobicContact CD1-CG1 4.12Å
233	P	96.9	Very high	86.5	Confident	10 Å²	10	49.1 Å²	49.1	7%	0.065	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-58.4	147.7	175.1	-24.8	33	0	0	0	112.4	A87 W88 M91 G235 V236	A87-P233 HydrophobicContact CB-CB 4.47Å; A87-P233 HydrophobicContact CB-CG 4.23Å; W88-P233 HydrophobicContact CB-CG 4.21Å; W88-P233 HydrophobicContact CE3-CG 4.17Å; M91-P233 HydrophobicContact CE-CG 4.09Å; P233-G235 PolarHBondContact O-N 3.09Å; P233-V236 HydrophobicContact CB-CG2 3.86Å; P233-V236 HydrophobicContact CG-CG2 4.17Å; P233-V236 WeakPolarHBondContact O-CB 3.23Å; P233-V236 WeakPolarHBondContact O-CG2 3.21Å; P233-V236 PolarHBondContact O-N 3.36Å
234	P	97.8	Very high	87.1	Confident	59 Å²	59	50.6 Å²	50.6	38%	0.383	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51	136.6	172.1	-27.8	36.4	0	0	0	111.9	N37 V236	N37-P234 HydrophobicContact CB-CB 4.24Å; P234-V236 VanDerWaalsContact C-N 3.27Å; P234-V236 PolarHBondContact O-N 2.86Å
235	G	98.3	Very high	88	Confident	0 Å²	0	50 Å²	50	0%	0	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	87.2	-9.7	175.7	0	0	0	0	0	113.8	N37 A78 P233 V237 N238	N37-G235 WeakPolarHBondContact OD1-CA 3.3Å; N37-G235 PolarHBondContact OD1-N 3.36Å; N37-G235 VanDerWaalsContact OD1-N 3.15Å; A78-G235 WeakPolarHBondContact CA-O 3.43Å; P233-G235 PolarHBondContact O-N 3.09Å; G235-V237 VanDerWaalsContact C-N 3.33Å; G235-V237 PolarHBondContact O-N 3.29Å; G235-N238 PolarHBondContact O-ND2 3.37Å
236	V	98.8	Very high	89	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.245	C	C	.	.	S	Bend	trans	-67.1	-36.3	178.2	173.4	0	0	0	0	112.3	A81 W88 L195 T200 V201 F232 P233 P234	A81-V236 HydrophobicContact CB-CG2 4.08Å; W88-V236 HydrophobicContact CB-CG2 3.8Å; W88-V236 HydrophobicContact CD2-CG1 3.93Å; W88-V236 HydrophobicContact CD2-CG2 3.69Å; W88-V236 HydrophobicContact CE3-CG1 4.28Å; W88-V236 HydrophobicContact CE3-CG2 4.1Å; W88-V236 HydrophobicContact CG-CG1 4.44Å; W88-V236 HydrophobicContact CG-CG2 3.55Å; W88-V236 HydrophobicContact CH2-CG1 4.22Å; W88-V236 HydrophobicContact CZ2-CG1 3.85Å; W88-V236 HydrophobicContact CZ3-CG1 4.41Å; L195-V236 HydrophobicContact CD2-CG1 3.48Å; L195-V236 VanDerWaalsContact CD2-CG1 3.48Å; T200-V236 CarbonylContact C-O 3.53Å; T200-V236 WeakPolarHBondContact CA-O 3.39Å; T200-V236 HydrophobicContact CG2-CB 4.31Å; T200-V236 HydrophobicContact CG2-CG1 4.4Å; T200-V236 HydrophobicContact CG2-CG2 4.16Å; V201-V236 PolarHBondContact N-O 3.04Å; F232-V236 HydrophobicContact CD1-CG1 4.12Å; P233-V236 HydrophobicContact CB-CG2 3.86Å; P233-V236 HydrophobicContact CG-CG2 4.17Å; P233-V236 WeakPolarHBondContact O-CB 3.23Å; P233-V236 WeakPolarHBondContact O-CG2 3.21Å; P233-V236 PolarHBondContact O-N 3.36Å; P234-V236 VanDerWaalsContact C-N 3.27Å; P234-V236 PolarHBondContact O-N 2.86Å
237	V	98.9	Very high	90.4	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	128.2	173.1	-178.8	0	0	0	0	108.5	F35 L191 L195 I220 G235 I239	F35-V237 WeakPolarHBondContact CE1-O 3.2Å; L191-V237 HydrophobicContact CD1-CG1 3.69Å; L191-V237 HydrophobicContact CD1-CG2 3.94Å; L195-V237 HydrophobicContact CD1-CG2 3.91Å; L195-V237 HydrophobicContact CD2-CG2 4.02Å; I220-V237 HydrophobicContact CD1-CB 3.98Å; I220-V237 HydrophobicContact CD1-CG1 3.78Å; I220-V237 HydrophobicContact CD1-CG2 4.06Å; G235-V237 VanDerWaalsContact C-N 3.33Å; G235-V237 PolarHBondContact O-N 3.29Å; V237-I239 HydrophobicContact CG1-CG1 4.18Å
238	N	98.9	Very high	92.4	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	129.1	176.7	-47.6	-85.6	0	0	0	108.6	F35 I36 N37 A74 V201 V202 I203 G235 I240	F35-N238 CarbonylContact O-C 3.45Å; F35-N238 WeakPolarHBondContact O-CA 3.49Å; I36-N238 HydrophobicContact CG1-CB 4.4Å; N37-N238 PolarHBondContact N-OD1 3.3Å; A74-N238 HydrophobicContact CB-CB 3.99Å; V201-N238 PolarHBondContact O-N 3.39Å; V201-N238 PolarHBondContact O-ND2 2.95Å; V202-N238 WeakPolarHBondContact CA-O 3.17Å; V202-N238 HydrophobicContact CG2-CB 4.46Å; I203-N238 WeakPolarHBondContact CG2-O 3.39Å; I203-N238 PolarHBondContact N-O 3.09Å; G235-N238 PolarHBondContact O-ND2 3.37Å; N238-I240 HydrophobicContact CB-CD1 4.42Å
239	I	98.9	Very high	94.6	Very high	0 Å²	0	24 Å²	24	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	118.8	-174	-46.9	-179.2	0	0	0	109	F35 I203 P205 A213 L214 V237 P241	F35-I239 HydrophobicContact CB-CB 3.98Å; F35-I239 HydrophobicContact CB-CG1 4.31Å; F35-I239 HydrophobicContact CD1-CD1 4.47Å; F35-I239 HydrophobicContact CD1-CG1 4.15Å; F35-I239 PolarHBondContact N-O 2.97Å; F35-I239 PolarHBondContact O-N 2.89Å; I203-I239 HydrophobicContact CG2-CB 4.23Å; I203-I239 HydrophobicContact CG2-CG1 3.84Å; I203-I239 HydrophobicContact CG2-CG2 4.24Å; I203-I239 WeakPolarHBondContact O-CA 3.4Å; P205-I239 HydrophobicContact CG-CG2 4.14Å; A213-I239 HydrophobicContact CB-CG2 4.23Å; A213-I239 WeakPolarHBondContact O-CD1 3.5Å; L214-I239 HydrophobicContact CD2-CB 4.42Å; L214-I239 HydrophobicContact CD2-CG2 3.91Å; V237-I239 HydrophobicContact CG1-CG1 4.18Å; I239-P241 WeakPolarHBondContact O-CD 3.39Å
240	I	98.5	Very high	96.4	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	15%	0.146	C	C	.	.			trans	-122.8	80.2	-164.4	-48.2	-57.8	0	0	0	108.9	I34 I36 A66 V71 A74 V202 I203 K204 N238	I34-I240 HydrophobicContact CG2-CD1 3.76Å; I36-I240 HydrophobicContact CD1-CD1 3.89Å; I36-I240 HydrophobicContact CG1-CD1 3.69Å; A66-I240 HydrophobicContact CB-CB 4.41Å; A66-I240 HydrophobicContact CB-CG2 3.18Å; V71-I240 HydrophobicContact CG2-CG2 3.96Å; A74-I240 HydrophobicContact CB-CD1 3.42Å; A74-I240 VanDerWaalsContact CB-CD1 3.42Å; A74-I240 HydrophobicContact CB-CG1 3.86Å; V202-I240 HydrophobicContact CG1-CG1 3.77Å; I203-I240 PolarHBondContact O-N 3.15Å; K204-I240 WeakPolarHBondContact CA-O 3.39Å; K204-I240 WeakPolarHBondContact CG-O 3.29Å; N238-I240 HydrophobicContact CB-CD1 4.42Å
241	P	98.8	Very high	97.9	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	12%	0.12	C	C	.	.			trans	-66.9	132	177.5	29.3	-35.7	0	0	0	110.5	I34 F49 V63 Q64 A66 P205 P210 L214 I239	I34-P241 HydrophobicContact CG1-CG 4.28Å; F49-P241 HydrophobicContact CE1-CB 4.31Å; F49-P241 HydrophobicContact CZ-CB 4.17Å; V63-P241 HydrophobicContact CG1-CB 3.67Å; V63-P241 HydrophobicContact CG1-CG 3.72Å; Q64-P241 VanDerWaalsContact O-O 3.1Å; A66-P241 WeakPolarHBondContact CB-O 3.42Å; A66-P241 PolarHBondContact N-O 3.47Å; P205-P241 HydrophobicContact CG-CB 4.35Å; P210-P241 HydrophobicContact CB-CB 4.13Å; L214-P241 HydrophobicContact CD1-CG 4.38Å; L214-P241 HydrophobicContact CD2-CG 4.06Å; I239-P241 WeakPolarHBondContact O-CD 3.39Å
242	G	98.3	Very high	98.4	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	12%	0.12	C	C	.	.			trans	174.3	179.6	-178.4	0	0	0	0	0	110.6	K204	K204-G242 WeakPolarHBondContact CE-O 3.46Å; K204-G242 PolarHBondContact NZ-O 2.86Å
243	F	98.8	Very high	98.5	Very high	72 Å²	72	20 Å²	20	32%	0.316	14%	0.137	S	C	.	.			trans	-78.2	161.2	-176.6	-68.3	-81.3	0	0	0	113.5	F49 E65 K204 E207 A247 G248	F49-F243 HydrophobicContact CB-CE2 3.85Å; F49-F243 HydrophobicContact CB-CZ 3.81Å; F49-F243 HydrophobicContact CD1-CE2 4.4Å; F49-F243 HydrophobicContact CD2-CZ 4.43Å; F49-F243 HydrophobicContact CG-CE2 4.12Å; F49-F243 HydrophobicContact CG-CZ 4.12Å; E65-F243 HydrophobicContact CG-CD2 4.02Å; E65-F243 HydrophobicContact CG-CE2 4.04Å; K204-F243 VanDerWaalsContact NZ-C 3.34Å; E207-F243 HydrophobicContact CB-CD1 3.83Å; E207-F243 HydrophobicContact CB-CE1 3.93Å; E207-F243 HydrophobicContact CG-CD1 3.67Å; E207-F243 HydrophobicContact CG-CE1 3.92Å; F243-A247 PolarHBondContact O-N 2.92Å; F243-G248 PolarHBondContact O-N 2.94Å
244	G	98.1	Very high	98.6	Very high	34 Å²	34	21.2 Å²	21.2	35%	0.351	14%	0.142	S	C	.	.	I	π-helix	trans	-60.5	-44.2	176	0	0	0	0	0	113.5	E207 T246 G248 A249	E207-G244 PolarHBondContact OE1-N 3.42Å; G244-T246 VanDerWaalsContact C-N 3.33Å; G244-T246 PolarHBondContact O-N 2.66Å; G244-G248 CarbonylContact O-C 3.54Å; G244-G248 VanDerWaalsContact O-CA 3.24Å; G244-G248 WeakPolarHBondContact O-CA 3.37Å; G244-G248 PolarHBondContact O-N 3.48Å; G244-A249 PolarHBondContact O-N 3.46Å
245	S	97.8	Very high	98.7	Very high	103 Å²	103	24.3 Å²	24.3	72%	0.72	15%	0.151	S	C	*	.	I	π-helix	trans	-73.2	-20.1	-177	53.7	0	0	0	0	114.6	A249	S245-A249 WeakPolarHBondContact O-CB 3.49Å
246	T	98.6	Very high	98.7	Very high	33 Å²	33	25.5 Å²	25.5	20%	0.202	16%	0.163	C	C	.	.	I	π-helix	trans	-101.4	-84.3	178.2	54	0	0	0	0	110.5	D67 G244 G248 A249 A250	D67-T246 WeakPolarHBondContact OD1-CB 3.31Å; G244-T246 VanDerWaalsContact C-N 3.33Å; G244-T246 PolarHBondContact O-N 2.66Å; T246-G248 PolarHBondContact O-N 3.5Å; T246-A249 PolarHBondContact O-N 2.7Å; T246-A250 VanDerWaalsContact O-CB 3.28Å; T246-A250 WeakPolarHBondContact O-CB 3.37Å; T246-A250 PolarHBondContact O-N 3.36Å
247	A	98.8	Very high	98.7	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	16%	0.163	C	C	.	.	I	π-helix	trans	-62	-40.8	-177.5	0	0	0	0	0	112.9	V71 K204 F243 A250 I251	V71-A247 HydrophobicContact CG2-CB 4.25Å; K204-A247 HydrophobicContact CG-CB 4.02Å; F243-A247 PolarHBondContact O-N 2.92Å; A247-A250 PolarHBondContact O-N 3.48Å; A247-I251 WeakPolarHBondContact O-CG1 3.41Å; A247-I251 PolarHBondContact O-N 3.22Å
248	G	98.8	Very high	98.7	Very high	3 Å²	3	28.6 Å²	28.6	3%	0.031	18%	0.18	C	C	.	.	I	π-helix	trans	-64.7	-49.4	178.9	0	0	0	0	0	112.8	I177 F243 G244 T246 A250 I251 A252	I177-G248 WeakPolarHBondContact CD1-O 3.08Å; F243-G248 PolarHBondContact O-N 2.94Å; G244-G248 CarbonylContact O-C 3.54Å; G244-G248 VanDerWaalsContact O-CA 3.24Å; G244-G248 WeakPolarHBondContact O-CA 3.37Å; G244-G248 PolarHBondContact O-N 3.48Å; T246-G248 PolarHBondContact O-N 3.5Å; G248-A250 VanDerWaalsContact C-N 3.34Å; G248-A250 PolarHBondContact O-N 2.85Å; G248-I251 PolarHBondContact O-N 2.9Å; G248-A252 PolarHBondContact O-N 2.94Å
249	A	98.8	Very high	98.7	Very high	45 Å²	45	28.7 Å²	28.7	37%	0.372	18%	0.18	S	C	.	.	H	α-helix	trans	-64.1	-38.1	176.8	0	0	0	0	0	112.2	G244 S245 T246 A252 S253	G244-A249 PolarHBondContact O-N 3.46Å; S245-A249 WeakPolarHBondContact O-CB 3.49Å; T246-A249 PolarHBondContact O-N 2.7Å; A249-A252 PolarHBondContact O-N 3.38Å; A249-S253 WeakPolarHBondContact O-CB 3.46Å; A249-S253 PolarHBondContact O-N 3.05Å; A249-S253 PolarHBondContact O-OG 2.94Å
250	A	98.9	Very high	98.7	Very high	8 Å²	8	28.7 Å²	28.7	7%	0.066	18%	0.18	C	C	.	.	H	α-helix	trans	-59.3	-47.8	173.5	0	0	0	0	0	111	K68 V71 T246 A247 G248 A252 S253 H254	K68-A250 HydrophobicContact CB-CB 3.96Å; K68-A250 HydrophobicContact CG-CB 4.1Å; V71-A250 HydrophobicContact CB-CB 4.15Å; V71-A250 HydrophobicContact CG1-CB 4.26Å; V71-A250 HydrophobicContact CG2-CB 4.03Å; T246-A250 VanDerWaalsContact O-CB 3.28Å; T246-A250 WeakPolarHBondContact O-CB 3.37Å; T246-A250 PolarHBondContact O-N 3.36Å; A247-A250 PolarHBondContact O-N 3.48Å; G248-A250 VanDerWaalsContact C-N 3.34Å; G248-A250 PolarHBondContact O-N 2.85Å; A250-A252 PolarHBondContact O-N 2.85Å; A250-S253 PolarHBondContact O-N 3.27Å; A250-S253 PolarHBondContact O-OG 3.4Å; A250-H254 VanDerWaalsContact O-CB 3.27Å; A250-H254 WeakPolarHBondContact O-CB 3.17Å; A250-H254 PolarHBondContact O-N 3.39Å
251	I	98.9	Very high	98.7	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-58.4	-46.8	175.2	-72.6	169	0	0	0	111.6	V71 I177 V202 K204 A247 G248 S253 H254 I257 V260	V71-I251 HydrophobicContact CG1-CG1 3.73Å; V71-I251 HydrophobicContact CG2-CG1 4.1Å; I177-I251 HydrophobicContact CD1-CB 4.41Å; I177-I251 HydrophobicContact CD1-CG2 4.21Å; I177-I251 HydrophobicContact CG1-CG2 4.31Å; V202-I251 HydrophobicContact CG1-CD1 4.24Å; V202-I251 HydrophobicContact CG1-CG1 4.39Å; K204-I251 HydrophobicContact CB-CD1 3.63Å; A247-I251 WeakPolarHBondContact O-CG1 3.41Å; A247-I251 PolarHBondContact O-N 3.22Å; G248-I251 PolarHBondContact O-N 2.9Å; I251-S253 VanDerWaalsContact C-N 3.29Å; I251-S253 PolarHBondContact O-N 2.92Å; I251-H254 PolarHBondContact O-N 3.21Å; I251-I257 HydrophobicContact CB-CD1 4.26Å; I251-I257 HydrophobicContact CG1-CD1 4.39Å; I251-I257 HydrophobicContact CG2-CD1 3.86Å; I251-V260 HydrophobicContact CG2-CG2 4.38Å
252	A	98.8	Very high	98.7	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.008	18%	0.183	C	C	.	.	H	α-helix	trans	-64.7	-33.3	-176.4	0	0	0	0	0	113.1	G248 A249 A250 I272 A275 K282	G248-A252 PolarHBondContact O-N 2.94Å; A249-A252 PolarHBondContact O-N 3.38Å; A250-A252 PolarHBondContact O-N 2.85Å; A252-I272 HydrophobicContact CB-CD1 3.58Å; A252-A275 HydrophobicContact CB-CB 3.95Å; A252-K282 WeakPolarHBondContact O-CE 3.47Å; A252-K282 PolarHBondContact O-NZ 3.49Å
253	S	98.8	Very high	98.8	Very high	53 Å²	53	29.8 Å²	29.8	37%	0.371	19%	0.187	S	C	.	.	H	α-helix	trans	-97.6	-7.6	-177.7	58.8	0	0	0	0	114.2	A249 A250 I251 E255 S279	A249-S253 WeakPolarHBondContact O-CB 3.46Å; A249-S253 PolarHBondContact O-N 3.05Å; A249-S253 PolarHBondContact O-OG 2.94Å; A250-S253 PolarHBondContact O-N 3.27Å; A250-S253 PolarHBondContact O-OG 3.4Å; I251-S253 VanDerWaalsContact C-N 3.29Å; I251-S253 PolarHBondContact O-N 2.92Å; S253-E255 PolarHBondContact O-N 3.49Å; S253-S279 VanDerWaalsContact O-CB 3.29Å; S253-S279 WeakPolarHBondContact O-CB 3.14Å
254	H	98.9	Very high	98.7	Very high	34 Å²	34	27.4 Å²	27.4	16%	0.157	18%	0.182	C	C	.	.			trans	-64.8	127.4	-174.9	-164.2	-77.8	0	0	0	112	D72 V75 A250 I251 G256 I257 K282	D72-H254 IonicContact OD1-CD2 2.88Å; D72-H254 PolarHBondContact OD1-CD2 3.01Å; D72-H254 IonicContact OD1-NE2 3.73Å; D72-H254 PolarHBondContact OD1-NE2 3.44Å; D72-H254 VanDerWaalsContact OD1-NE2 3.15Å; V75-H254 WeakPolarHBondContact CG1-CE1 3.42Å; A250-H254 VanDerWaalsContact O-CB 3.27Å; A250-H254 WeakPolarHBondContact O-CB 3.17Å; A250-H254 PolarHBondContact O-N 3.39Å; I251-H254 PolarHBondContact O-N 3.21Å; H254-G256 VanDerWaalsContact C-N 3.3Å; H254-G256 WeakPolarHBondContact ND1-CA 3.47Å; H254-G256 PolarHBondContact ND1-N 3.08Å; H254-G256 PolarHBondContact O-N 2.72Å; H254-I257 HydrophobicContact CB-CB 4.41Å; H254-I257 HydrophobicContact CB-CD1 3.91Å; H254-I257 HydrophobicContact CB-CG1 3.99Å; H254-I257 PolarHBondContact O-N 3.26Å; H254-K282 WeakPolarHBondContact O-CE 3.3Å; H254-K282 PolarHBondContact O-NZ 2.97Å
255	E	98.8	Very high	98.8	Very high	124 Å²	124	28.2 Å²	28.2	58%	0.579	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-28.9	-178	-69.6	-61.8	137.5	0	0	113.4	S253 S279 N280	S253-E255 PolarHBondContact O-N 3.49Å; E255-S279 WeakPolarHBondContact OE1-CA 3.36Å; E255-S279 VanDerWaalsContact OE1-CB 3.27Å; E255-S279 WeakPolarHBondContact OE1-CB 2.88Å; E255-N280 PolarHBondContact O-ND2 3.05Å; E255-N280 WeakPolarHBondContact OE2-CB 3.01Å
256	G	98.7	Very high	98.8	Very high	25 Å²	25	23.8 Å²	23.8	26%	0.258	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	8.4	177.8	0	0	0	0	0	115.9	I173 H254	I173-G256 WeakPolarHBondContact CD1-O 3.2Å; H254-G256 VanDerWaalsContact C-N 3.3Å; H254-G256 WeakPolarHBondContact ND1-CA 3.47Å; H254-G256 PolarHBondContact ND1-N 3.08Å; H254-G256 PolarHBondContact O-N 2.72Å
257	I	98.9	Very high	98.8	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.173	C	C	.	.			trans	-104.3	127.7	175.9	-69.9	-177.5	0	0	0	108.9	V75 I173 I251 H254 K259 N280 K282	V75-I257 HydrophobicContact CG1-CG1 4.36Å; V75-I257 HydrophobicContact CG2-CD1 3.73Å; V75-I257 HydrophobicContact CG2-CG1 3.67Å; I173-I257 HydrophobicContact CG2-CG1 4.18Å; I251-I257 HydrophobicContact CB-CD1 4.26Å; I251-I257 HydrophobicContact CG1-CD1 4.39Å; I251-I257 HydrophobicContact CG2-CD1 3.86Å; H254-I257 HydrophobicContact CB-CB 4.41Å; H254-I257 HydrophobicContact CB-CD1 3.91Å; H254-I257 HydrophobicContact CB-CG1 3.99Å; H254-I257 PolarHBondContact O-N 3.26Å; I257-K259 WeakPolarHBondContact CG2-O 3.27Å; I257-N280 PolarHBondContact O-ND2 3.23Å; I257-K282 HydrophobicContact CG2-CD 4.16Å; I257-K282 WeakPolarHBondContact O-CB 3.31Å; I257-K282 WeakPolarHBondContact O-CE 3.16Å
258	D	98.9	Very high	98.8	Very high	66 Å²	66	31.6 Å²	31.6	35%	0.353	19%	0.189	S	C	.	.	S	Bend	trans	-90.3	-25.2	-171.5	-53.7	-63.4	0	0	0	112.8	I171 G172 I173 K282 R283	I171-D258 HydrophobicContact CG2-CB 3.72Å; G172-D258 WeakPolarHBondContact CA-OD2 3.35Å; I173-D258 PolarHBondContact N-OD2 2.86Å; I173-D258 PolarHBondContact O-N 3.2Å; D258-K282 WeakPolarHBondContact O-CA 3.15Å; D258-K282 WeakPolarHBondContact O-CB 3.41Å; D258-R283 PolarHBondContact O-N 3.03Å
259	K	98.9	Very high	98.8	Very high	1 Å²	1	31.4 Å²	31.4	0%	0.004	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	144.7	177.1	168.9	179	171	74.9	0	111.3	I171 I173 C174 G175 I257 R283 T285 E503 Y504	I171-K259 HydrophobicContact CD1-CB 4.33Å; I171-K259 HydrophobicContact CD1-CD 3.57Å; I171-K259 HydrophobicContact CG2-CB 4.09Å; I173-K259 PolarHBondContact O-N 3.28Å; C174-K259 CarbonylContact C-O 3.41Å; C174-K259 WeakPolarHBondContact CA-O 3.35Å; G175-K259 PolarHBondContact N-O 3.18Å; I257-K259 WeakPolarHBondContact CG2-O 3.27Å; K259-R283 CarbonylContact C-O 3.46Å; K259-R283 VanDerWaalsContact CA-O 3.27Å; K259-R283 WeakPolarHBondContact CA-O 3.34Å; K259-R283 HydrophobicContact CB-CB 4.19Å; K259-R283 HydrophobicContact CG-CB 4.26Å; K259-T285 PolarHBondContact NZ-OG1 2.98Å; K259-E503 WeakPolarHBondContact CD-O 3.49Å; K259-E503 WeakPolarHBondContact CE-O 3.45Å; K259-E503 PolarHBondContact NZ-O 3.23Å; K259-Y504 HydrophobicContact CD-CD1 3.95Å; K259-Y504 HydrophobicContact CD-CE1 4.03Å; K259-Y504 VanDerWaalsContact CE-CE1 3.41Å
260	V	98.9	Very high	98.8	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	133	166	65.5	0	0	0	0	111.7	G175 I177 I251 I272 K282 R283 V284 T285	G175-V260 CarbonylContact O-C 3.59Å; G175-V260 VanDerWaalsContact O-CA 3.3Å; G175-V260 WeakPolarHBondContact O-CA 3.42Å; I177-V260 HydrophobicContact CD1-CG2 4.39Å; I251-V260 HydrophobicContact CG2-CG2 4.38Å; V260-I272 HydrophobicContact CG1-CG2 3.76Å; V260-I272 HydrophobicContact CG2-CG2 4.12Å; V260-K282 HydrophobicContact CB-CD 4.17Å; V260-K282 HydrophobicContact CG1-CD 4.08Å; V260-K282 HydrophobicContact CG1-CG 4.43Å; V260-R283 PolarHBondContact N-O 3.44Å; V260-V284 HydrophobicContact CG1-CB 4.29Å; V260-V284 HydrophobicContact CG1-CG1 4.09Å; V260-V284 HydrophobicContact CG1-CG2 3.86Å; V260-V284 WeakPolarHBondContact O-CA 3.39Å; V260-T285 PolarHBondContact O-N 3.11Å
261	A	98.9	Very high	98.8	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.008	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	117.5	170.2	0	0	0	0	0	109.6	G175 A176 I177 K190 T285 Y504	G175-A261 PolarHBondContact O-N 3Å; A176-A261 WeakPolarHBondContact CA-O 3.27Å; I177-A261 PolarHBondContact N-O 3.15Å; K190-A261 HydrophobicContact CD-CB 4.21Å; A261-T285 WeakPolarHBondContact CA-O 3.4Å; A261-Y504 WeakPolarHBondContact CB-OH 3.48Å
262	F	98.9	Very high	98.8	Very high	12 Å²	12	39.1 Å²	39.1	5%	0.053	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	134.6	-177.5	171.7	-94.1	0	0	0	110.7	I177 V268 I272 T285 L286 E287 L288	I177-F262 HydrophobicContact CB-CD2 3.83Å; I177-F262 HydrophobicContact CD1-CD2 4.49Å; I177-F262 HydrophobicContact CG2-CD2 3.65Å; I177-F262 HydrophobicContact CG2-CE2 3.9Å; F262-V268 HydrophobicContact CD2-CG1 4.49Å; F262-V268 HydrophobicContact CE1-CB 4.32Å; F262-V268 HydrophobicContact CE1-CG1 4.26Å; F262-V268 HydrophobicContact CE2-CB 4.35Å; F262-V268 HydrophobicContact CE2-CG1 3.56Å; F262-V268 HydrophobicContact CZ-CB 3.7Å; F262-V268 HydrophobicContact CZ-CG1 3.42Å; F262-V268 VanDerWaalsContact CZ-CG1 3.42Å; F262-I272 HydrophobicContact CB-CG1 4.23Å; F262-I272 HydrophobicContact CB-CG2 4.18Å; F262-I272 HydrophobicContact CD1-CG1 4.45Å; F262-I272 HydrophobicContact CD2-CD1 4.28Å; F262-I272 HydrophobicContact CD2-CG1 3.86Å; F262-I272 HydrophobicContact CE2-CG1 4.36Å; F262-I272 HydrophobicContact CG-CG1 3.92Å; F262-T285 PolarHBondContact N-O 3.3Å; F262-L286 HydrophobicContact CB-CD2 3.94Å; F262-L286 HydrophobicContact CD1-CD2 4.13Å; F262-L286 HydrophobicContact CG-CD2 4.47Å; F262-L286 WeakPolarHBondContact O-CA 3.27Å; F262-E287 PolarHBondContact O-N 3.22Å; F262-L288 HydrophobicContact CD1-CD2 3.71Å; F262-L288 HydrophobicContact CE1-CD2 3.62Å
263	T	98.9	Very high	98.8	Very high	11 Å²	11	44 Å²	44	7%	0.067	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	129.3	165.3	-55	0	0	0	0	108.7	I177 P179 M186 K190 E287	I177-T263 PolarHBondContact O-N 3.5Å; I177-T263 VanDerWaalsContact O-N 3.1Å; P179-T263 WeakPolarHBondContact CD-O 3.34Å; P179-T263 HydrophobicContact CG-CG2 3.85Å; M186-T263 HydrophobicContact SD-CG2 4.01Å; K190-T263 WeakPolarHBondContact CE-OG1 3.35Å; K190-T263 PolarHBondContact NZ-OG1 3.48Å; T263-E287 WeakPolarHBondContact CA-O 2.94Å; T263-E287 HydrophobicContact CG2-CB 3.81Å; T263-E287 WeakPolarHBondContact CG2-O 3.44Å; T263-E287 WeakPolarHBondContact OG1-CB 3.48Å
264	G	98.4	Very high	98.8	Very high	21 Å²	21	45.7 Å²	45.7	22%	0.216	24%	0.24	C	C	.	.	S	Bend	trans	163.3	-152	-177.6	0	0	0	0	0	113.4	E287 L288	G264-E287 PolarHBondContact N-O 3.05Å; G264-L288 WeakPolarHBondContact O-CA 3.2Å
265	S	98.4	Very high	98.8	Very high	52 Å²	52	45.3 Å²	45.3	36%	0.364	24%	0.243	S	C	.	.			trans	-70.6	149.8	-177.4	71.7	0	0	0	0	112.2	E267 V268 G269	S265-E267 VanDerWaalsContact C-N 3.3Å; S265-E267 PolarHBondContact O-N 2.93Å; S265-V268 PolarHBondContact O-N 2.7Å; S265-V268 VanDerWaalsContact OG-CG2 3.31Å; S265-V268 WeakPolarHBondContact OG-CG2 3.35Å; S265-V268 PolarHBondContact OG-N 3.14Å; S265-G269 PolarHBondContact O-N 3.17Å
266	T	98.5	Very high	98.8	Very high	9 Å²	9	39.5 Å²	39.5	6%	0.055	22%	0.215	C	C	.	.	H	α-helix	trans	-58.4	-42.1	179	-49.8	0	0	0	0	112.7	G269 Q270 L288 Y444 M489	T266-G269 PolarHBondContact O-N 2.74Å; T266-Q270 PolarHBondContact O-N 2.87Å; T266-L288 HydrophobicContact CG2-CD1 4.3Å; T266-Y444 HydrophobicContact CG2-CE1 4.1Å; T266-Y444 VanDerWaalsContact OG1-CE1 3.27Å; T266-Y444 WeakPolarHBondContact OG1-CE1 3.1Å; T266-M489 HydrophobicContact CG2-CB 4.12Å; T266-M489 HydrophobicContact CG2-CE 3.91Å
267	E	98.3	Very high	98.8	Very high	142 Å²	142	41.1 Å²	41.1	66%	0.664	23%	0.226	S	C	*	.	H	α-helix	trans	-58.8	-49.9	177.7	-178.5	-178.9	-180	0	0	111.5	S265 G269 Q270 L271	S265-E267 VanDerWaalsContact C-N 3.3Å; S265-E267 PolarHBondContact O-N 2.93Å; E267-G269 VanDerWaalsContact C-N 3.31Å; E267-G269 PolarHBondContact O-N 3.5Å; E267-Q270 WeakPolarHBondContact O-CB 3.24Å; E267-Q270 PolarHBondContact O-N 3.43Å; E267-L271 PolarHBondContact O-N 3.33Å
268	V	98.7	Very high	98.8	Very high	55 Å²	55	48.6 Å²	48.6	33%	0.333	26%	0.259	S	S	.	.	H	α-helix	trans	-67.3	-35.5	177.4	177.7	0	0	0	0	110.7	F262 S265 Q270 L271 I272	F262-V268 HydrophobicContact CD2-CG1 4.49Å; F262-V268 HydrophobicContact CE1-CB 4.32Å; F262-V268 HydrophobicContact CE1-CG1 4.26Å; F262-V268 HydrophobicContact CE2-CB 4.35Å; F262-V268 HydrophobicContact CE2-CG1 3.56Å; F262-V268 HydrophobicContact CZ-CB 3.7Å; F262-V268 HydrophobicContact CZ-CG1 3.42Å; F262-V268 VanDerWaalsContact CZ-CG1 3.42Å; S265-V268 PolarHBondContact O-N 2.7Å; S265-V268 VanDerWaalsContact OG-CG2 3.31Å; S265-V268 WeakPolarHBondContact OG-CG2 3.35Å; S265-V268 PolarHBondContact OG-N 3.14Å; V268-Q270 VanDerWaalsContact C-N 3.27Å; V268-Q270 PolarHBondContact O-N 3.42Å; V268-L271 WeakPolarHBondContact O-CB 3.4Å; V268-L271 PolarHBondContact O-N 3.3Å; V268-L271 VanDerWaalsContact O-N 3.08Å; V268-I272 HydrophobicContact CG1-CG1 4.23Å; V268-I272 WeakPolarHBondContact O-CG1 3.42Å; V268-I272 PolarHBondContact O-N 3.44Å
269	G	98.8	Very high	98.8	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-56.4	-38.3	173.5	0	0	0	0	0	113.6	S265 T266 E267 I272 K273	S265-G269 PolarHBondContact O-N 3.17Å; T266-G269 PolarHBondContact O-N 2.74Å; E267-G269 VanDerWaalsContact C-N 3.31Å; E267-G269 PolarHBondContact O-N 3.5Å; G269-I272 PolarHBondContact O-N 2.92Å; G269-K273 PolarHBondContact O-N 2.87Å; G269-K273 VanDerWaalsContact O-N 3.11Å
270	Q	98.8	Very high	98.7	Very high	110 Å²	110	48.9 Å²	48.9	51%	0.514	26%	0.263	S	S	.	.	H	α-helix	trans	-65.2	-45.2	173.6	-67.2	175	-62.1	0	0	111.4	T266 E267 V268 I272 K273 E274	T266-Q270 PolarHBondContact O-N 2.87Å; E267-Q270 WeakPolarHBondContact O-CB 3.24Å; E267-Q270 PolarHBondContact O-N 3.43Å; V268-Q270 VanDerWaalsContact C-N 3.27Å; V268-Q270 PolarHBondContact O-N 3.42Å; Q270-I272 VanDerWaalsContact C-N 3.33Å; Q270-I272 PolarHBondContact O-N 3.29Å; Q270-K273 PolarHBondContact O-N 3.06Å; Q270-E274 WeakPolarHBondContact O-CB 3.39Å; Q270-E274 PolarHBondContact O-N 2.74Å
271	L	98.9	Very high	98.7	Very high	96 Å²	96	55.6 Å²	55.6	50%	0.503	30%	0.298	S	S	.	.	H	α-helix	trans	-61	-40.4	176.7	-62.3	177.1	0	0	0	112.3	E267 V268 E274 A275	E267-L271 PolarHBondContact O-N 3.33Å; V268-L271 WeakPolarHBondContact O-CB 3.4Å; V268-L271 PolarHBondContact O-N 3.3Å; V268-L271 VanDerWaalsContact O-N 3.08Å; L271-E274 PolarHBondContact O-N 2.82Å; L271-A275 VanDerWaalsContact O-CB 3.31Å; L271-A275 WeakPolarHBondContact O-CB 3.25Å; L271-A275 PolarHBondContact O-N 3Å
272	I	98.9	Very high	98.7	Very high	9 Å²	9	56 Å²	56	5%	0.046	30%	0.3	C	S	.	.	H	α-helix	trans	-61.1	-47.1	175.5	-66.5	-64.6	0	0	0	110.6	I177 A252 V260 F262 V268 G269 Q270 E274 A275 A276 V284 L286	I177-I272 HydrophobicContact CD1-CD1 3.73Å; A252-I272 HydrophobicContact CB-CD1 3.58Å; V260-I272 HydrophobicContact CG1-CG2 3.76Å; V260-I272 HydrophobicContact CG2-CG2 4.12Å; F262-I272 HydrophobicContact CB-CG1 4.23Å; F262-I272 HydrophobicContact CB-CG2 4.18Å; F262-I272 HydrophobicContact CD1-CG1 4.45Å; F262-I272 HydrophobicContact CD2-CD1 4.28Å; F262-I272 HydrophobicContact CD2-CG1 3.86Å; F262-I272 HydrophobicContact CE2-CG1 4.36Å; F262-I272 HydrophobicContact CG-CG1 3.92Å; V268-I272 HydrophobicContact CG1-CG1 4.23Å; V268-I272 WeakPolarHBondContact O-CG1 3.42Å; V268-I272 PolarHBondContact O-N 3.44Å; G269-I272 PolarHBondContact O-N 2.92Å; Q270-I272 VanDerWaalsContact C-N 3.33Å; Q270-I272 PolarHBondContact O-N 3.29Å; I272-E274 VanDerWaalsContact C-N 3.35Å; I272-A275 PolarHBondContact O-N 3.44Å; I272-A276 WeakPolarHBondContact O-CB 3.28Å; I272-A276 PolarHBondContact O-N 2.88Å; I272-V284 HydrophobicContact CG2-CG1 4.28Å; I272-L286 HydrophobicContact CB-CD2 4.46Å; I272-L286 HydrophobicContact CG2-CD2 4.22Å
273	K	98.8	Very high	98.7	Very high	103 Å²	103	58.9 Å²	58.9	45%	0.448	31%	0.31	S	S	.	.	H	α-helix	trans	-65.8	-39.1	-179.5	-166.1	171.3	-175.8	174.8	0	112	G269 Q270 A277 V284 L286 N492	G269-K273 PolarHBondContact O-N 2.87Å; G269-K273 VanDerWaalsContact O-N 3.11Å; Q270-K273 PolarHBondContact O-N 3.06Å; K273-A277 WeakPolarHBondContact O-CB 3.38Å; K273-A277 PolarHBondContact O-N 2.91Å; K273-V284 HydrophobicContact CB-CG1 4.49Å; K273-L286 HydrophobicContact CB-CD1 4.34Å; K273-L286 HydrophobicContact CD-CD1 4.29Å; K273-N492 PolarHBondContact NZ-OD1 3.39Å
274	E	98.9	Very high	98.7	Very high	89 Å²	89	59.9 Å²	59.9	42%	0.416	32%	0.316	S	S	.	.	H	α-helix	trans	-64.5	-46.2	174.6	-175	-177.1	174.5	0	0	111.9	Q270 L271 I272 A276 A277 K278	Q270-E274 WeakPolarHBondContact O-CB 3.39Å; Q270-E274 PolarHBondContact O-N 2.74Å; L271-E274 PolarHBondContact O-N 2.82Å; I272-E274 VanDerWaalsContact C-N 3.35Å; E274-A276 VanDerWaalsContact C-N 3.34Å; E274-A276 PolarHBondContact O-N 2.73Å; E274-A277 PolarHBondContact O-N 3.22Å; E274-K278 HydrophobicContact CG-CD 4.03Å; E274-K278 HydrophobicContact CG-CG 4.49Å; E274-K278 WeakPolarHBondContact O-CB 3.46Å; E274-K278 WeakPolarHBondContact O-CG 3.05Å; E274-K278 PolarHBondContact O-N 2.84Å; E274-K278 WeakPolarHBondContact OE1-CE 3.23Å; E274-K278 IonicContact OE1-NZ 3.43Å; E274-K278 PolarHBondContact OE1-NZ 2.8Å
275	A	98.8	Very high	98.8	Very high	26 Å²	26	59.2 Å²	59.2	22%	0.215	31%	0.308	C	S	.	.	H	α-helix	trans	-62.5	-40.6	178.2	0	0	0	0	0	112	A252 L271 I272 K278 S279	A252-A275 HydrophobicContact CB-CB 3.95Å; L271-A275 VanDerWaalsContact O-CB 3.31Å; L271-A275 WeakPolarHBondContact O-CB 3.25Å; L271-A275 PolarHBondContact O-N 3Å; I272-A275 PolarHBondContact O-N 3.44Å; A275-K278 PolarHBondContact O-N 3.47Å; A275-S279 WeakPolarHBondContact O-CB 3.33Å; A275-S279 PolarHBondContact O-N 2.97Å; A275-S279 VanDerWaalsContact O-N 3.1Å; A275-S279 PolarHBondContact O-OG 2.89Å
276	A	98.8	Very high	98.8	Very high	1 Å²	1	57 Å²	57	1%	0.008	29%	0.292	C	S	.	.	H	α-helix	trans	-61.3	-44.3	173.1	0	0	0	0	0	111.7	I272 E274 S279 L281 K282 V284	I272-A276 WeakPolarHBondContact O-CB 3.28Å; I272-A276 PolarHBondContact O-N 2.88Å; E274-A276 VanDerWaalsContact C-N 3.34Å; E274-A276 PolarHBondContact O-N 2.73Å; A276-S279 PolarHBondContact O-OG 2.78Å; A276-L281 WeakPolarHBondContact O-CA 3.37Å; A276-L281 PolarHBondContact O-N 3.02Å; A276-K282 HydrophobicContact CB-CD 4.22Å; A276-K282 HydrophobicContact CB-CG 3.55Å; A276-V284 HydrophobicContact CB-CG2 3.37Å
277	A	98.8	Very high	98.8	Very high	59 Å²	59	57 Å²	57	49%	0.488	29%	0.291	S	S	.	.	H	α-helix	trans	-65.3	-37.7	178.5	0	0	0	0	0	113	K273 E274 L281	K273-A277 WeakPolarHBondContact O-CB 3.38Å; K273-A277 PolarHBondContact O-N 2.91Å; E274-A277 PolarHBondContact O-N 3.22Å; A277-L281 WeakPolarHBondContact O-CD2 3.49Å
278	K	98.8	Very high	98.8	Very high	157 Å²	157	50.7 Å²	50.7	68%	0.683	26%	0.262	S	S	*	.	H	α-helix	trans	-77.9	-21.6	-178.8	-75.9	179	171.3	176	0	114.7	E274 A275	E274-K278 HydrophobicContact CG-CD 4.03Å; E274-K278 HydrophobicContact CG-CG 4.49Å; E274-K278 WeakPolarHBondContact O-CB 3.46Å; E274-K278 WeakPolarHBondContact O-CG 3.05Å; E274-K278 PolarHBondContact O-N 2.84Å; E274-K278 WeakPolarHBondContact OE1-CE 3.23Å; E274-K278 IonicContact OE1-NZ 3.43Å; E274-K278 PolarHBondContact OE1-NZ 2.8Å; A275-K278 PolarHBondContact O-N 3.47Å
279	S	98.8	Very high	98.6	Very high	28 Å²	28	48.2 Å²	48.2	20%	0.196	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-98.6	-179.6	49.3	0	0	0	0	110.4	S253 E255 A275 A276 K282	S253-S279 VanDerWaalsContact O-CB 3.29Å; S253-S279 WeakPolarHBondContact O-CB 3.14Å; E255-S279 WeakPolarHBondContact OE1-CA 3.36Å; E255-S279 VanDerWaalsContact OE1-CB 3.27Å; E255-S279 WeakPolarHBondContact OE1-CB 2.88Å; A275-S279 WeakPolarHBondContact O-CB 3.33Å; A275-S279 PolarHBondContact O-N 2.97Å; A275-S279 VanDerWaalsContact O-N 3.1Å; A275-S279 PolarHBondContact O-OG 2.89Å; A276-S279 PolarHBondContact O-OG 2.78Å; S279-K282 PolarHBondContact OG-NZ 3.2Å
280	N	98.7	Very high	98.5	Very high	46 Å²	46	48.3 Å²	48.3	25%	0.246	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.5	14.9	-170	69.3	-15.3	0	0	0	114.1	E255 I257 K282	E255-N280 PolarHBondContact O-ND2 3.05Å; E255-N280 WeakPolarHBondContact OE2-CB 3.01Å; I257-N280 PolarHBondContact O-ND2 3.23Å; N280-K282 PolarHBondContact O-N 3.01Å; N280-K282 WeakPolarHBondContact OD1-CB 3.45Å; N280-K282 VanDerWaalsContact OD1-CE 3.23Å; N280-K282 WeakPolarHBondContact OD1-CE 3.48Å; N280-K282 WeakPolarHBondContact OD1-CG 3.43Å; N280-K282 PolarHBondContact OD1-N 3.36Å; N280-K282 VanDerWaalsContact OD1-N 3.1Å; N280-K282 PolarHBondContact OD1-NZ 2.85Å
281	L	98.8	Very high	98.5	Very high	141 Å²	141	43.1 Å²	43.1	74%	0.738	22%	0.224	S	C	*	.			trans	56.7	27.2	-175.4	-58.6	174.4	0	0	0	113.8	A276 A277	A276-L281 WeakPolarHBondContact O-CA 3.37Å; A276-L281 PolarHBondContact O-N 3.02Å; A277-L281 WeakPolarHBondContact O-CD2 3.49Å
282	K	98.8	Very high	98.5	Very high	10 Å²	10	38.7 Å²	38.7	4%	0.043	20%	0.201	C	C	.	.			trans	-49.8	145	175.9	60.7	179.5	68.5	63.5	0	111.6	A252 H254 I257 D258 V260 A276 S279 N280 V284	A252-K282 WeakPolarHBondContact O-CE 3.47Å; A252-K282 PolarHBondContact O-NZ 3.49Å; H254-K282 WeakPolarHBondContact O-CE 3.3Å; H254-K282 PolarHBondContact O-NZ 2.97Å; I257-K282 HydrophobicContact CG2-CD 4.16Å; I257-K282 WeakPolarHBondContact O-CB 3.31Å; I257-K282 WeakPolarHBondContact O-CE 3.16Å; D258-K282 WeakPolarHBondContact O-CA 3.15Å; D258-K282 WeakPolarHBondContact O-CB 3.41Å; V260-K282 HydrophobicContact CB-CD 4.17Å; V260-K282 HydrophobicContact CG1-CD 4.08Å; V260-K282 HydrophobicContact CG1-CG 4.43Å; A276-K282 HydrophobicContact CB-CD 4.22Å; A276-K282 HydrophobicContact CB-CG 3.55Å; S279-K282 PolarHBondContact OG-NZ 3.2Å; N280-K282 PolarHBondContact O-N 3.01Å; N280-K282 WeakPolarHBondContact OD1-CB 3.45Å; N280-K282 VanDerWaalsContact OD1-CE 3.23Å; N280-K282 WeakPolarHBondContact OD1-CE 3.48Å; N280-K282 WeakPolarHBondContact OD1-CG 3.43Å; N280-K282 PolarHBondContact OD1-N 3.36Å; N280-K282 VanDerWaalsContact OD1-N 3.1Å; N280-K282 PolarHBondContact OD1-NZ 2.85Å; K282-V284 WeakPolarHBondContact O-CG2 3.15Å
283	R	98.9	Very high	98.4	Very high	71 Å²	71	38.5 Å²	38.5	27%	0.268	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	144	177.7	-68.6	175.2	61.3	-176.6	-4.3	110.2	I171 D258 K259 V260 A502 E503 S505 E506	I171-R283 VanDerWaalsContact CD1-CZ 3.48Å; D258-R283 PolarHBondContact O-N 3.03Å; K259-R283 CarbonylContact C-O 3.46Å; K259-R283 VanDerWaalsContact CA-O 3.27Å; K259-R283 WeakPolarHBondContact CA-O 3.34Å; K259-R283 HydrophobicContact CB-CB 4.19Å; K259-R283 HydrophobicContact CG-CB 4.26Å; V260-R283 PolarHBondContact N-O 3.44Å; R283-A502 PolarHBondContact NH2-O 2.82Å; R283-E503 IonicContact NH2-OE2 2.81Å; R283-S505 PolarHBondContact NH1-O 2.86Å; R283-E506 WeakPolarHBondContact CD-OE2 3.41Å; R283-E506 IonicContact CZ-OE2 2.81Å; R283-E506 IonicContact NH1-OE2 2.75Å; R283-E506 PolarHBondContact NH1-OE2 3.22Å
284	V	98.9	Very high	98.4	Very high	33 Å²	33	33.6 Å²	33.6	20%	0.2	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	129.3	-176.5	-173.7	0	0	0	0	110.3	V260 I272 K273 A276 K282 L286	V260-V284 HydrophobicContact CG1-CB 4.29Å; V260-V284 HydrophobicContact CG1-CG1 4.09Å; V260-V284 HydrophobicContact CG1-CG2 3.86Å; V260-V284 WeakPolarHBondContact O-CA 3.39Å; I272-V284 HydrophobicContact CG2-CG1 4.28Å; K273-V284 HydrophobicContact CB-CG1 4.49Å; A276-V284 HydrophobicContact CB-CG2 3.37Å; K282-V284 WeakPolarHBondContact O-CG2 3.15Å; V284-L286 HydrophobicContact CG1-CD1 4.34Å; V284-L286 HydrophobicContact CG1-CD2 3.57Å; V284-L286 HydrophobicContact CG1-CG 3.78Å
285	T	98.9	Very high	98.4	Very high	7 Å²	7	29.3 Å²	29.3	4%	0.043	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	138.1	163.1	46.8	0	0	0	0	110.4	K259 V260 A261 F262 N492 E503	K259-T285 PolarHBondContact NZ-OG1 2.98Å; V260-T285 PolarHBondContact O-N 3.11Å; A261-T285 WeakPolarHBondContact CA-O 3.4Å; F262-T285 PolarHBondContact N-O 3.3Å; T285-N492 CarbonylContact C-O 3.5Å; T285-N492 VanDerWaalsContact CA-O 3.28Å; T285-N492 WeakPolarHBondContact CA-O 3.22Å; T285-N492 WeakPolarHBondContact CB-O 3.09Å; T285-E503 HydrophobicContact CG2-CB 3.91Å; T285-E503 HydrophobicContact CG2-CG 3.78Å; T285-E503 VanDerWaalsContact CG2-OE2 3.28Å; T285-E503 WeakPolarHBondContact CG2-OE2 3.46Å
286	L	98.9	Very high	98.4	Very high	6 Å²	6	28.1 Å²	28.1	3%	0.031	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	128	-172.3	-57.3	176.8	0	0	0	109.7	F262 I272 K273 V284 L288 G491 N492	F262-L286 HydrophobicContact CB-CD2 3.94Å; F262-L286 HydrophobicContact CD1-CD2 4.13Å; F262-L286 HydrophobicContact CG-CD2 4.47Å; F262-L286 WeakPolarHBondContact O-CA 3.27Å; I272-L286 HydrophobicContact CB-CD2 4.46Å; I272-L286 HydrophobicContact CG2-CD2 4.22Å; K273-L286 HydrophobicContact CB-CD1 4.34Å; K273-L286 HydrophobicContact CD-CD1 4.29Å; V284-L286 HydrophobicContact CG1-CD1 4.34Å; V284-L286 HydrophobicContact CG1-CD2 3.57Å; V284-L286 HydrophobicContact CG1-CG 3.78Å; L286-L288 HydrophobicContact CB-CD1 4Å; L286-L288 HydrophobicContact CB-CD2 4.09Å; L286-L288 HydrophobicContact CB-CG 3.93Å; L286-L288 HydrophobicContact CD1-CD1 4.15Å; L286-G491 CarbonylContact O-C 3.56Å; L286-G491 WeakPolarHBondContact O-CA 3.45Å; L286-N492 PolarHBondContact N-O 3.35Å; L286-N492 PolarHBondContact O-N 2.95Å
287	E	98.8	Very high	98.4	Very high	8 Å²	8	28.2 Å²	28.2	4%	0.037	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	107.3	167.1	-75.2	-60.2	142.8	0	0	108.5	F262 T263 G264 F484 G485 E495	F262-E287 PolarHBondContact O-N 3.22Å; T263-E287 WeakPolarHBondContact CA-O 2.94Å; T263-E287 HydrophobicContact CG2-CB 3.81Å; T263-E287 WeakPolarHBondContact CG2-O 3.44Å; T263-E287 WeakPolarHBondContact OG1-CB 3.48Å; G264-E287 PolarHBondContact N-O 3.05Å; E287-F484 WeakPolarHBondContact OE2-CE1 3.38Å; E287-G485 VanDerWaalsContact CD-CA 3.49Å; E287-G485 WeakPolarHBondContact OE1-CA 3.48Å; E287-G485 VanDerWaalsContact OE2-CA 3.31Å; E287-G485 WeakPolarHBondContact OE2-CA 3.41Å; E287-E495 HydrophobicContact CG-CG 4.14Å
288	L	98.7	Very high	98.4	Very high	10 Å²	10	27 Å²	27	5%	0.052	14%	0.139	C	C	.	.			trans	-116.5	-170.4	-165.4	-51.9	175.7	0	0	0	111.8	F262 G264 T266 L286 M489 S490	F262-L288 HydrophobicContact CD1-CD2 3.71Å; F262-L288 HydrophobicContact CE1-CD2 3.62Å; G264-L288 WeakPolarHBondContact O-CA 3.2Å; T266-L288 HydrophobicContact CG2-CD1 4.3Å; L286-L288 HydrophobicContact CB-CD1 4Å; L286-L288 HydrophobicContact CB-CD2 4.09Å; L286-L288 HydrophobicContact CB-CG 3.93Å; L286-L288 HydrophobicContact CD1-CD1 4.15Å; L288-M489 WeakPolarHBondContact CD1-O 3.49Å; L288-S490 WeakPolarHBondContact CA-O 3.35Å; L288-S490 WeakPolarHBondContact CB-O 3.5Å; L288-S490 PolarHBondContact N-O 3.4Å
289	G	94.8	Very high	98.4	Very high	2 Å²	2	22 Å²	22	2%	0.021	12%	0.12	C	C	.	.			trans	-69.4	172.2	-178.7	0	0	0	0	0	114.3	E418 Y444 S490	G289-E418 WeakPolarHBondContact CA-OE1 3.48Å; G289-E418 WeakPolarHBondContact CA-OE2 3.27Å; G289-Y444 WeakPolarHBondContact O-CD1 3.34Å; G289-S490 WeakPolarHBondContact O-CB 3.37Å; G289-S490 PolarHBondContact O-OG 2.97Å
290	G	96.3	Very high	98.4	Very high	2 Å²	2	21.3 Å²	21.3	2%	0.021	12%	0.115	C	C	.	.			trans	-143.8	159.9	-179.8	0	0	0	0	0	114.2	E418	G290-E418 PolarHBondContact N-OE1 3.49Å
291	K	98	Very high	98.4	Very high	2 Å²	2	22.8 Å²	22.8	1%	0.009	12%	0.123	C	C	.	.			trans	-127.9	63.5	163	-163.7	73.3	-170.2	-177.9	0	110	S325 R326 I414 A415 E417 Y444	K291-S325 WeakPolarHBondContact CA-OG 3.23Å; K291-S325 WeakPolarHBondContact CD-OG 3.41Å; K291-R326 HydrophobicContact CD-CG 4.46Å; K291-R326 HydrophobicContact CG-CG 3.89Å; K291-R326 PolarHBondContact O-NE 2.87Å; K291-R326 PolarHBondContact O-NH2 3.04Å; K291-I414 WeakPolarHBondContact CE-O 3.43Å; K291-I414 PolarHBondContact NZ-O 3.08Å; K291-A415 WeakPolarHBondContact CE-O 3.33Å; K291-A415 WeakPolarHBondContact CG-O 3.45Å; K291-E417 WeakPolarHBondContact CD-O 3.39Å; K291-E417 PolarHBondContact NZ-O 3.21Å; K291-Y444 HydrophobicContact CB-CD2 3.79Å
292	N	98.6	Very high	98.4	Very high	3 Å²	3	17.3 Å²	17.3	2%	0.016	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	125.1	-161.9	-51.9	-51.9	0	0	0	112.6	C321 T322 A323 S325 R326 V447	N292-C321 PolarHBondContact ND2-O 2.9Å; N292-T322 WeakPolarHBondContact ND2-CA 3.37Å; N292-T322 PolarHBondContact ND2-O 2.81Å; N292-A323 WeakPolarHBondContact CB-O 3.43Å; N292-A323 PolarHBondContact ND2-N 2.97Å; N292-A323 PolarHBondContact ND2-O 3.43Å; N292-A323 VanDerWaalsContact ND2-O 3.08Å; N292-S325 PolarHBondContact N-OG 2.9Å; N292-S325 PolarHBondContact O-N 3.26Å; N292-R326 PolarHBondContact O-N 3.02Å; N292-R326 VanDerWaalsContact O-N 3.17Å; N292-V447 WeakPolarHBondContact CA-O 3.34Å; N292-V447 HydrophobicContact CB-CG2 3.71Å; N292-V447 VanDerWaalsContact CB-O 3.23Å; N292-V447 WeakPolarHBondContact CB-O 3.39Å; N292-V447 VanDerWaalsContact CG-CG2 3.41Å; N292-V447 PolarHBondContact OD1-N 2.89Å; N292-V447 VanDerWaalsContact OD1-N 3.14Å; N292-V447 PolarHBondContact OD1-O 3.41Å
293	P	98.5	Very high	98.3	Very high	4 Å²	4	19.9 Å²	19.9	3%	0.026	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	135.2	177.2	32.9	-32.1	0	0	0	112.2	R326 F328 A439 V447 S448 A449	P293-R326 CarbonylContact C-O 3.4Å; P293-R326 VanDerWaalsContact CA-O 3.31Å; P293-R326 WeakPolarHBondContact CA-O 3.31Å; P293-F328 HydrophobicContact CB-CD2 4.12Å; P293-F328 HydrophobicContact CB-CE2 3.81Å; P293-A439 HydrophobicContact CB-CB 3.83Å; P293-A439 HydrophobicContact CG-CB 3.91Å; P293-V447 WeakPolarHBondContact CD-O 3.42Å; P293-S448 CarbonylContact O-C 3.59Å; P293-S448 WeakPolarHBondContact O-CA 3.45Å; P293-S448 WeakPolarHBondContact O-CB 3.43Å; P293-A449 PolarHBondContact O-N 3.27Å
294	C	98.6	Very high	98.3	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	127.3	164.4	-61.7	0	0	0	0	108.4	I309 A324 R326 V327 F328 A449 Y475	C294-I309 HydrophobicContact CB-CD1 4.19Å; C294-I309 HydrophobicContact CB-CG1 4.24Å; C294-A324 VanDerWaalsContact SG-CB 3.5Å; C294-R326 PolarHBondContact N-O 3.28Å; C294-V327 HydrophobicContact CB-CG1 4.31Å; C294-V327 HydrophobicContact CB-CG2 4.22Å; C294-V327 CarbonylContact O-C 3.55Å; C294-V327 WeakPolarHBondContact O-CA 3.46Å; C294-F328 PolarHBondContact O-N 3.36Å; C294-A449 CarbonylContact C-O 3.6Å; C294-A449 WeakPolarHBondContact CA-O 3.16Å; C294-Y475 WeakPolarHBondContact SG-CE2 3.36Å
295	I	98.9	Very high	98.3	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	121.1	-178.3	-57.1	176.6	0	0	0	108.9	F297 F328 F429 V435 A439 A449 V450 F451 V461 L465	I295-F297 HydrophobicContact CB-CE2 4.5Å; I295-F297 HydrophobicContact CG2-CD2 3.99Å; I295-F297 HydrophobicContact CG2-CE2 3.42Å; I295-F297 VanDerWaalsContact CG2-CE2 3.42Å; I295-F297 HydrophobicContact CG2-CZ 3.75Å; I295-F328 CarbonylContact C-O 3.56Å; I295-F429 HydrophobicContact CG2-CE1 4.12Å; I295-F429 HydrophobicContact CG2-CZ 4.01Å; I295-V435 HydrophobicContact CB-CG2 4.48Å; I295-V435 HydrophobicContact CD1-CG1 4.33Å; I295-V435 HydrophobicContact CD1-CG2 3.98Å; I295-V435 HydrophobicContact CG1-CG2 3.91Å; I295-V435 HydrophobicContact CG2-CG1 3.96Å; I295-V435 HydrophobicContact CG2-CG2 3.87Å; I295-A439 HydrophobicContact CD1-CB 4.06Å; I295-A449 PolarHBondContact N-O 3.37Å; I295-V450 CarbonylContact O-C 3.42Å; I295-V450 WeakPolarHBondContact O-CA 3.23Å; I295-F451 PolarHBondContact O-N 3.21Å; I295-V461 HydrophobicContact CD1-CG1 4.01Å; I295-L465 HydrophobicContact CD1-CD1 4.28Å; I295-L465 HydrophobicContact CD1-CD2 4.03Å
296	V	98.9	Very high	98.2	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	106.2	-175.8	-170.5	0	0	0	0	109.5	C300 A305 I309 V327 F328 V329 Q330 I333 F337 F429 F451	V296-C300 VanDerWaalsContact CG1-SG 3.53Å; V296-A305 HydrophobicContact CG1-CB 4.15Å; V296-I309 HydrophobicContact CG2-CD1 3.37Å; V296-V327 HydrophobicContact CG2-CG1 4Å; V296-F328 PolarHBondContact N-O 2.88Å; V296-V329 HydrophobicContact CB-CG1 4.39Å; V296-V329 HydrophobicContact CB-CG2 4.25Å; V296-V329 HydrophobicContact CG2-CG2 4.34Å; V296-Q330 PolarHBondContact O-N 3.36Å; V296-I333 HydrophobicContact CG1-CD1 3.88Å; V296-F337 HydrophobicContact CG1-CD2 4.18Å; V296-F337 HydrophobicContact CG1-CE2 4.22Å; V296-F337 HydrophobicContact CG2-CE2 4Å; V296-F337 HydrophobicContact CG2-CZ 4.45Å; V296-F429 WeakPolarHBondContact O-CE1 3.33Å; V296-F451 HydrophobicContact CG1-CB 4.37Å; V296-F451 HydrophobicContact CG2-CD2 4.27Å
297	F	98.9	Very high	98.2	Very high	3 Å²	3	19.9 Å²	19.9	1%	0.013	11%	0.107	C	C	.	.			trans	-84.4	152.6	175.7	-71.2	-80.2	0	0	0	111.5	I295 D299 C300 F429 K432 V435 V450 F451 R457 V461	I295-F297 HydrophobicContact CB-CE2 4.5Å; I295-F297 HydrophobicContact CG2-CD2 3.99Å; I295-F297 HydrophobicContact CG2-CE2 3.42Å; I295-F297 VanDerWaalsContact CG2-CE2 3.42Å; I295-F297 HydrophobicContact CG2-CZ 3.75Å; F297-D299 WeakPolarHBondContact CB-OD1 3.39Å; F297-D299 PolarHBondContact O-N 3.47Å; F297-C300 WeakPolarHBondContact O-CB 3.43Å; F297-C300 PolarHBondContact O-N 2.86Å; F297-C300 VanDerWaalsContact O-N 3.09Å; F297-C300 PolarHBondContact O-SG 3.36Å; F297-F429 HydrophobicContact CD1-CE2 4.02Å; F297-F429 AromaticContact CD1-CZ 3.77Å; F297-F429 HydrophobicContact CD1-CZ 3.77Å; F297-F429 AromaticContact CE1-CE2 3.65Å; F297-F429 HydrophobicContact CE1-CE2 3.65Å; F297-F429 AromaticContact CE1-CZ 3.71Å; F297-F429 HydrophobicContact CE1-CZ 3.71Å; F297-F429 HydrophobicContact CG-CZ 4.36Å; F297-F429 HydrophobicContact CZ-CE2 4.36Å; F297-F429 HydrophobicContact CZ-CZ 4.25Å; F297-K432 HydrophobicContact CE1-CB 4.36Å; F297-K432 HydrophobicContact CE1-CG 4.48Å; F297-K432 HydrophobicContact CZ-CG 4.19Å; F297-V435 HydrophobicContact CZ-CG1 4.14Å; F297-V450 HydrophobicContact CD2-CG1 4.06Å; F297-V450 HydrophobicContact CE2-CG1 3.88Å; F297-F451 PolarHBondContact N-O 3Å; F297-R457 VanDerWaalsContact CD1-CD 3.43Å; F297-R457 HydrophobicContact CD2-CG 4.16Å; F297-R457 HydrophobicContact CE1-CG 4.46Å; F297-R457 VanDerWaalsContact CE2-CD 3.47Å; F297-R457 HydrophobicContact CE2-CG 3.89Å; F297-R457 HydrophobicContact CZ-CG 4.06Å; F297-V461 HydrophobicContact CE2-CG2 4.02Å; F297-V461 HydrophobicContact CZ-CG2 3.99Å
298	A	98.6	Very high	98.1	Very high	34 Å²	34	21.3 Å²	21.3	28%	0.281	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-16.6	-175.4	0	0	0	0	0	114.6	Q330 R332 I333	A298-Q330 HydrophobicContact CB-CB 4.34Å; A298-Q330 HydrophobicContact CB-CG 4.46Å; A298-Q330 VanDerWaalsContact CB-OE1 3.29Å; A298-R332 HydrophobicContact CB-CB 4.36Å; A298-I333 HydrophobicContact CB-CG1 4.24Å; A298-I333 HydrophobicContact CB-CG2 3.99Å
299	D	98.3	Very high	98.1	Very high	53 Å²	53	20.8 Å²	20.8	28%	0.283	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-0.7	179.1	73.3	-21.8	0	0	0	114	F297 T452 K453 S454 R457	F297-D299 WeakPolarHBondContact CB-OD1 3.39Å; F297-D299 PolarHBondContact O-N 3.47Å; D299-T452 VanDerWaalsContact CG-OG1 3.27Å; D299-T452 WeakPolarHBondContact OD1-CA 3.49Å; D299-T452 WeakPolarHBondContact OD1-CB 3.08Å; D299-T452 PolarHBondContact OD1-OG1 2.86Å; D299-T452 PolarHBondContact OD2-OG1 3.41Å; D299-T452 VanDerWaalsContact OD2-OG1 3.12Å; D299-K453 WeakPolarHBondContact O-CD 3.31Å; D299-K453 WeakPolarHBondContact O-CE 3.18Å; D299-K453 WeakPolarHBondContact O-CG 3.26Å; D299-K453 PolarHBondContact OD1-N 3.48Å; D299-S454 PolarHBondContact OD2-N 3.27Å; D299-R457 IonicContact OD1-NH1 2.68Å; D299-R457 PolarHBondContact OD1-NH1 2.72Å; D299-R457 IonicContact OD2-CZ 3.8Å; D299-R457 IonicContact OD2-NH1 2.77Å; D299-R457 PolarHBondContact OD2-NH1 3.06Å
300	C	98.4	Very high	98.2	Very high	12 Å²	12	21 Å²	21	8%	0.081	11%	0.112	C	C	.	.	S	Bend	trans	-65.8	168.3	180	73.1	0	0	0	0	112.9	V296 F297 L302 F451	V296-C300 VanDerWaalsContact CG1-SG 3.53Å; F297-C300 WeakPolarHBondContact O-CB 3.43Å; F297-C300 PolarHBondContact O-N 2.86Å; F297-C300 VanDerWaalsContact O-N 3.09Å; F297-C300 PolarHBondContact O-SG 3.36Å; C300-L302 PolarHBondContact O-N 3.45Å; C300-F451 HydrophobicContact CB-CB 3.96Å
301	D	98.4	Very high	98.1	Very high	78 Å²	78	26.5 Å²	26.5	42%	0.417	14%	0.135	S	C	.	.			trans	-75.4	104.1	156.7	-175.3	-35.8	0	0	0	108.2	Q303 M304 A305	D301-Q303 VanDerWaalsContact C-N 3.33Å; D301-Q303 PolarHBondContact O-N 3.05Å; D301-Q303 PolarHBondContact OD1-N 3.03Å; D301-Q303 VanDerWaalsContact OD1-N 3.12Å; D301-M304 HydrophobicContact CB-CB 3.96Å; D301-M304 HydrophobicContact CB-CE 4.09Å; D301-M304 PolarHBondContact O-N 3.43Å; D301-M304 PolarHBondContact OD1-N 3.27Å; D301-A305 WeakPolarHBondContact O-CB 3.43Å; D301-A305 PolarHBondContact O-N 2.9Å
302	L	98.3	Very high	97.9	Very high	26 Å²	26	26.4 Å²	26.4	14%	0.136	14%	0.135	C	C	.	.	H	α-helix	trans	-64.8	-36.4	-172.9	-176.7	58.4	0	0	0	112.8	C300 V306 I333 E336 F337	C300-L302 PolarHBondContact O-N 3.45Å; L302-V306 HydrophobicContact CD1-CG2 4.5Å; L302-V306 WeakPolarHBondContact O-CG2 3.47Å; L302-V306 PolarHBondContact O-N 3.2Å; L302-V306 VanDerWaalsContact O-N 3.08Å; L302-I333 HydrophobicContact CD1-CD1 4.05Å; L302-E336 HydrophobicContact CD2-CB 4.17Å; L302-E336 HydrophobicContact CD2-CG 3.51Å; L302-F337 HydrophobicContact CD1-CB 4.07Å; L302-F337 HydrophobicContact CD1-CD2 3.61Å; L302-F337 HydrophobicContact CD1-CG 4.32Å
303	Q	97.8	Very high	97.8	Very high	63 Å²	63	26.4 Å²	26.4	29%	0.294	14%	0.135	S	C	.	.	H	α-helix	trans	-69.5	-46.9	-179.2	-174.6	57.9	33.3	0	0	110.3	D301 A305 V306 E307	D301-Q303 VanDerWaalsContact C-N 3.33Å; D301-Q303 PolarHBondContact O-N 3.05Å; D301-Q303 PolarHBondContact OD1-N 3.03Å; D301-Q303 VanDerWaalsContact OD1-N 3.12Å; Q303-A305 VanDerWaalsContact C-N 3.33Å; Q303-A305 PolarHBondContact O-N 2.86Å; Q303-V306 PolarHBondContact O-N 3.02Å; Q303-E307 PolarHBondContact NE2-OE1 3.27Å; Q303-E307 WeakPolarHBondContact O-CG 3.34Å; Q303-E307 PolarHBondContact O-N 3.11Å; Q303-E307 VanDerWaalsContact O-N 3.07Å
304	M	98.3	Very high	97.8	Very high	47 Å²	47	26.7 Å²	26.7	23%	0.232	14%	0.136	C	C	.	.	H	α-helix	trans	-60.1	-43.7	175.5	177.3	-82.9	-65.6	0	0	111.3	D301 V306 E307 E308 F451 N473	D301-M304 HydrophobicContact CB-CB 3.96Å; D301-M304 HydrophobicContact CB-CE 4.09Å; D301-M304 PolarHBondContact O-N 3.43Å; D301-M304 PolarHBondContact OD1-N 3.27Å; M304-V306 PolarHBondContact O-N 3.43Å; M304-E307 PolarHBondContact O-N 3.06Å; M304-E308 HydrophobicContact CG-CG 4.22Å; M304-E308 WeakPolarHBondContact O-CB 3.23Å; M304-E308 WeakPolarHBondContact O-CG 3.39Å; M304-E308 PolarHBondContact O-N 3.19Å; M304-E308 HydrophobicContact SD-CB 4.48Å; M304-E308 HydrophobicContact SD-CG 3.84Å; M304-F451 HydrophobicContact CE-CD1 3.94Å; M304-F451 HydrophobicContact CE-CE1 4.41Å; M304-F451 HydrophobicContact SD-CD1 3.79Å; M304-F451 HydrophobicContact SD-CE1 3.68Å; M304-N473 HydrophobicContact CE-CB 3.79Å
305	A	98.6	Very high	97.7	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-59.5	-45.6	178.2	0	0	0	0	0	112.1	V296 D301 Q303 E307 I309 F451	V296-A305 HydrophobicContact CG1-CB 4.15Å; D301-A305 WeakPolarHBondContact O-CB 3.43Å; D301-A305 PolarHBondContact O-N 2.9Å; Q303-A305 VanDerWaalsContact C-N 3.33Å; Q303-A305 PolarHBondContact O-N 2.86Å; A305-E307 PolarHBondContact O-N 3.09Å; A305-I309 HydrophobicContact CB-CD1 4.48Å; A305-I309 WeakPolarHBondContact O-CB 3.47Å; A305-I309 VanDerWaalsContact O-CD1 3.31Å; A305-I309 WeakPolarHBondContact O-CD1 3.25Å; A305-I309 WeakPolarHBondContact O-CG1 3.17Å; A305-I309 PolarHBondContact O-N 3.4Å; A305-F451 HydrophobicContact CB-CB 4.02Å; A305-F451 HydrophobicContact CB-CD1 3.66Å; A305-F451 HydrophobicContact CB-CE1 4.3Å; A305-F451 HydrophobicContact CB-CG 3.84Å
306	V	98.6	Very high	97.6	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-60.4	-46.9	176.6	168.8	0	0	0	0	111.2	L302 Q303 M304 Q310 F337 R340 N344	L302-V306 HydrophobicContact CD1-CG2 4.5Å; L302-V306 WeakPolarHBondContact O-CG2 3.47Å; L302-V306 PolarHBondContact O-N 3.2Å; L302-V306 VanDerWaalsContact O-N 3.08Å; Q303-V306 PolarHBondContact O-N 3.02Å; M304-V306 PolarHBondContact O-N 3.43Å; V306-Q310 WeakPolarHBondContact O-CB 3.25Å; V306-Q310 WeakPolarHBondContact O-CG 3.25Å; V306-Q310 PolarHBondContact O-N 3.33Å; V306-F337 HydrophobicContact CG2-CD2 3.71Å; V306-F337 HydrophobicContact CG2-CE2 3.64Å; V306-F337 HydrophobicContact CG2-CG 4.28Å; V306-F337 HydrophobicContact CG2-CZ 4.18Å; V306-R340 HydrophobicContact CG1-CB 4.28Å; V306-R340 HydrophobicContact CG2-CB 3.93Å; V306-N344 HydrophobicContact CG1-CB 4.02Å
307	E	97.6	Very high	97.6	Very high	71 Å²	71	28.9 Å²	28.9	33%	0.332	14%	0.144	S	C	.	.	H	α-helix	trans	-65	-47.6	-178.2	-72	173.6	-169.4	0	0	112.4	Q303 M304 A305 Q310 K311	Q303-E307 PolarHBondContact NE2-OE1 3.27Å; Q303-E307 WeakPolarHBondContact O-CG 3.34Å; Q303-E307 PolarHBondContact O-N 3.11Å; Q303-E307 VanDerWaalsContact O-N 3.07Å; M304-E307 PolarHBondContact O-N 3.06Å; A305-E307 PolarHBondContact O-N 3.09Å; E307-Q310 PolarHBondContact O-N 2.93Å; E307-K311 VanDerWaalsContact O-CG 3.27Å; E307-K311 WeakPolarHBondContact O-CG 3.48Å; E307-K311 PolarHBondContact O-N 3.43Å
308	E	98.3	Very high	97.6	Very high	37 Å²	37	28.7 Å²	28.7	17%	0.173	14%	0.144	C	C	.	.	H	α-helix	trans	-66.2	-43	179.9	-72.6	-62.5	119.5	0	0	112.2	M304 Q310 K311 G312 F451 Y475	M304-E308 HydrophobicContact CG-CG 4.22Å; M304-E308 WeakPolarHBondContact O-CB 3.23Å; M304-E308 WeakPolarHBondContact O-CG 3.39Å; M304-E308 PolarHBondContact O-N 3.19Å; M304-E308 HydrophobicContact SD-CB 4.48Å; M304-E308 HydrophobicContact SD-CG 3.84Å; E308-Q310 PolarHBondContact O-N 3.2Å; E308-K311 PolarHBondContact O-N 3Å; E308-K311 IonicContact OE1-NZ 3.63Å; E308-K311 PolarHBondContact OE1-NZ 3.45Å; E308-G312 PolarHBondContact O-N 3.11Å; E308-F451 HydrophobicContact CB-CE1 3.78Å; E308-F451 HydrophobicContact CB-CZ 3.86Å; E308-F451 HydrophobicContact CG-CE1 4.37Å; E308-Y475 WeakPolarHBondContact O-CB 3Å; E308-Y475 PolarHBondContact OE2-N 3.37Å; E308-Y475 VanDerWaalsContact OE2-N 3.13Å
309	I	98.3	Very high	97.6	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-65.2	-40.9	178.2	-70.3	167.6	0	0	0	110.8	C294 V296 A305 G312 A313 A324 V327 F337 L424 F451	C294-I309 HydrophobicContact CB-CD1 4.19Å; C294-I309 HydrophobicContact CB-CG1 4.24Å; V296-I309 HydrophobicContact CG2-CD1 3.37Å; A305-I309 HydrophobicContact CB-CD1 4.48Å; A305-I309 WeakPolarHBondContact O-CB 3.47Å; A305-I309 VanDerWaalsContact O-CD1 3.31Å; A305-I309 WeakPolarHBondContact O-CD1 3.25Å; A305-I309 WeakPolarHBondContact O-CG1 3.17Å; A305-I309 PolarHBondContact O-N 3.4Å; I309-G312 CarbonylContact O-C 3.47Å; I309-G312 WeakPolarHBondContact O-CA 3.22Å; I309-G312 PolarHBondContact O-N 2.97Å; I309-G312 VanDerWaalsContact O-N 3.11Å; I309-A313 WeakPolarHBondContact O-CB 3.27Å; I309-A313 PolarHBondContact O-N 3.34Å; I309-A324 HydrophobicContact CG2-CB 4.21Å; I309-V327 HydrophobicContact CD1-CG1 3.99Å; I309-V327 HydrophobicContact CG2-CG1 4.28Å; I309-V327 HydrophobicContact CG2-CG2 3.52Å; I309-F337 HydrophobicContact CD1-CE2 3.96Å; I309-F337 HydrophobicContact CD1-CZ 3.83Å; I309-F337 HydrophobicContact CG2-CZ 4.49Å; I309-L424 HydrophobicContact CG2-CD1 4.17Å; I309-F451 HydrophobicContact CD1-CD2 3.85Å; I309-F451 HydrophobicContact CD1-CE2 3.66Å; I309-F451 HydrophobicContact CD1-CZ 4.27Å; I309-F451 HydrophobicContact CG1-CD2 4.15Å; I309-F451 HydrophobicContact CG1-CE2 3.43Å; I309-F451 VanDerWaalsContact CG1-CE2 3.43Å; I309-F451 HydrophobicContact CG1-CZ 3.72Å
310	Q	96.9	Very high	97.5	Very high	6 Å²	6	25 Å²	25	3%	0.028	12%	0.12	C	C	.	.	H	α-helix	trans	-71.6	-35	178.3	-74.8	-162.9	-11	0	0	113.4	V306 E307 E308 G312 A313 F314 S341 N344 L424	V306-Q310 WeakPolarHBondContact O-CB 3.25Å; V306-Q310 WeakPolarHBondContact O-CG 3.25Å; V306-Q310 PolarHBondContact O-N 3.33Å; E307-Q310 PolarHBondContact O-N 2.93Å; E308-Q310 PolarHBondContact O-N 3.2Å; Q310-G312 VanDerWaalsContact C-N 3.26Å; Q310-G312 PolarHBondContact O-N 3Å; Q310-A313 PolarHBondContact O-N 3.47Å; Q310-F314 HydrophobicContact CB-CD2 4.03Å; Q310-F314 HydrophobicContact CB-CE2 4.19Å; Q310-F314 HydrophobicContact CG-CD2 4.27Å; Q310-F314 HydrophobicContact CG-CE2 3.92Å; Q310-F314 WeakPolarHBondContact O-CB 3.43Å; Q310-F314 PolarHBondContact O-N 3.28Å; Q310-S341 VanDerWaalsContact NE2-C 3.28Å; Q310-S341 PolarHBondContact NE2-O 2.93Å; Q310-N344 VanDerWaalsContact OE1-CB 3.25Å; Q310-N344 PolarHBondContact OE1-ND2 3.43Å; Q310-L424 HydrophobicContact CG-CD2 4.25Å
311	K	93.3	Very high	97.5	Very high	117 Å²	117	25.9 Å²	25.9	51%	0.509	13%	0.125	S	C	.	.	H	α-helix	trans	-55.5	-47.8	164.8	-71.1	170.5	-162.3	167.6	0	109.1	E307 E308 A313 Y315	E307-K311 VanDerWaalsContact O-CG 3.27Å; E307-K311 WeakPolarHBondContact O-CG 3.48Å; E307-K311 PolarHBondContact O-N 3.43Å; E308-K311 PolarHBondContact O-N 3Å; E308-K311 IonicContact OE1-NZ 3.63Å; E308-K311 PolarHBondContact OE1-NZ 3.45Å; K311-A313 PolarHBondContact O-N 3.19Å; K311-Y315 WeakPolarHBondContact O-CA 3.28Å; K311-Y315 WeakPolarHBondContact O-CB 3.35Å; K311-Y315 PolarHBondContact O-N 3.37Å
312	G	94.3	Very high	97.5	Very high	1 Å²	1	22.4 Å²	22.4	1%	0.01	11%	0.107	C	C	.	.	H	α-helix	trans	-58.4	-40.2	176	0	0	0	0	0	115.1	E308 I309 Q310 A323 A324	E308-G312 PolarHBondContact O-N 3.11Å; I309-G312 CarbonylContact O-C 3.47Å; I309-G312 WeakPolarHBondContact O-CA 3.22Å; I309-G312 PolarHBondContact O-N 2.97Å; I309-G312 VanDerWaalsContact O-N 3.11Å; Q310-G312 VanDerWaalsContact C-N 3.26Å; Q310-G312 PolarHBondContact O-N 3Å; G312-A323 WeakPolarHBondContact O-CA 3.43Å; G312-A324 PolarHBondContact O-N 3.45Å
313	A	97	Very high	97.5	Very high	2 Å²	2	21.8 Å²	21.8	2%	0.017	11%	0.106	C	C	.	.	H	α-helix	trans	-81.6	-37.2	-173.8	0	0	0	0	0	113.7	I309 Q310 K311 G318 A324 L424	I309-A313 WeakPolarHBondContact O-CB 3.27Å; I309-A313 PolarHBondContact O-N 3.34Å; Q310-A313 PolarHBondContact O-N 3.47Å; K311-A313 PolarHBondContact O-N 3.19Å; A313-G318 VanDerWaalsContact O-CA 3.29Å; A313-G318 WeakPolarHBondContact O-CA 3.27Å; A313-A324 HydrophobicContact CB-CB 4.12Å; A313-A324 WeakPolarHBondContact CB-O 3.34Å; A313-L424 HydrophobicContact CB-CB 4.46Å; A313-L424 HydrophobicContact CB-CD1 3.64Å
314	F	97.9	Very high	97.4	Very high	10 Å²	10	18.9 Å²	18.9	4%	0.044	9%	0.092	C	C	.	.	H	α-helix	trans	-110.8	-5.8	-170.7	-54	-43.7	0	0	0	113.7	Q310 Q317 G318 A345 I348 P402 I404 P422 L424	Q310-F314 HydrophobicContact CB-CD2 4.03Å; Q310-F314 HydrophobicContact CB-CE2 4.19Å; Q310-F314 HydrophobicContact CG-CD2 4.27Å; Q310-F314 HydrophobicContact CG-CE2 3.92Å; Q310-F314 WeakPolarHBondContact O-CB 3.43Å; Q310-F314 PolarHBondContact O-N 3.28Å; F314-Q317 PolarHBondContact O-N 3.42Å; F314-G318 PolarHBondContact O-N 3.07Å; F314-A345 HydrophobicContact CE2-CB 4.28Å; F314-I348 HydrophobicContact CB-CD1 4.24Å; F314-I348 HydrophobicContact CD2-CD1 3.58Å; F314-I348 HydrophobicContact CE2-CD1 4.19Å; F314-I348 HydrophobicContact CG-CD1 4.13Å; F314-P402 HydrophobicContact CD1-CB 4.32Å; F314-P402 HydrophobicContact CD2-CB 4.4Å; F314-P402 HydrophobicContact CE1-CB 4.16Å; F314-P402 HydrophobicContact CE2-CB 4.22Å; F314-P402 HydrophobicContact CG-CB 4.44Å; F314-P402 HydrophobicContact CZ-CB 4.1Å; F314-I404 HydrophobicContact CZ-CG1 4.13Å; F314-P422 HydrophobicContact CD1-CB 3.89Å; F314-P422 HydrophobicContact CE1-CB 4.45Å; F314-P422 WeakPolarHBondContact CE1-O 3.43Å; F314-L424 HydrophobicContact CE1-CB 4.1Å; F314-L424 HydrophobicContact CZ-CB 3.87Å
315	Y	96.6	Very high	97.2	Very high	45 Å²	45	17.2 Å²	17.2	18%	0.176	9%	0.085	C	C	.	.	G	3₁₀ helix	trans	-58.3	140.9	173.3	175.5	-109.4	0	0	0	111.3	Q128 T132 F182 K311 Q317 G318	Q128-Y315 HydrophobicContact CB-CE2 4.46Å; Q128-Y315 HydrophobicContact CG-CE2 4.39Å; T132-Y315 WeakPolarHBondContact CB-OH 3.1Å; T132-Y315 WeakPolarHBondContact CG2-OH 3.43Å; F182-Y315 AromaticContact CE1-CE1 3.63Å; F182-Y315 HydrophobicContact CE1-CE1 3.63Å; F182-Y315 HydrophobicContact CZ-CD1 4.22Å; F182-Y315 AromaticContact CZ-CE1 3.62Å; F182-Y315 HydrophobicContact CZ-CE1 3.62Å; K311-Y315 WeakPolarHBondContact O-CA 3.28Å; K311-Y315 WeakPolarHBondContact O-CB 3.35Å; K311-Y315 PolarHBondContact O-N 3.37Å; Y315-Q317 PolarHBondContact O-N 2.86Å; Y315-G318 PolarHBondContact O-N 3.22Å
316	N	97.3	Very high	97.2	Very high	1 Å²	1	17.7 Å²	17.7	1%	0.005	9%	0.087	C	C	.	.	G	3₁₀ helix	trans	48.9	44.7	-175.3	-165.4	48.8	0	0	0	112.3	K124 N181 F182 G318 Q319	K124-N316 WeakPolarHBondContact CD-OD1 3.43Å; K124-N316 PolarHBondContact NZ-OD1 2.83Å; N181-N316 PolarHBondContact O-ND2 3.48Å; F182-N316 HydrophobicContact CE1-CB 4.14Å; F182-N316 HydrophobicContact CZ-CB 3.69Å; F182-N316 WeakPolarHBondContact CZ-ND2 3.38Å; N316-G318 PolarHBondContact O-N 3.18Å; N316-G318 VanDerWaalsContact O-N 3.15Å; N316-Q319 PolarHBondContact ND2-O 2.89Å; N316-Q319 VanDerWaalsContact O-CB 3.28Å; N316-Q319 WeakPolarHBondContact O-CB 3.21Å; N316-Q319 PolarHBondContact O-N 3.37Å
317	Q	98.1	Very high	97.2	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.087	C	C	.	.	G	3₁₀ helix	trans	60.9	18.5	-178	-53.8	75.3	-122	0	0	115.3	F314 Y315 Q319 H360 G361 P362 Q363 G421 P422	F314-Q317 PolarHBondContact O-N 3.42Å; Y315-Q317 PolarHBondContact O-N 2.86Å; Q317-Q319 HydrophobicContact CB-CG 4.31Å; Q317-Q319 PolarHBondContact O-N 2.99Å; Q317-H360 VanDerWaalsContact CA-CE1 3.46Å; Q317-H360 WeakPolarHBondContact CA-CE1 3.16Å; Q317-G361 VanDerWaalsContact CG-O 3.23Å; Q317-G361 WeakPolarHBondContact CG-O 3.45Å; Q317-P362 WeakPolarHBondContact CG-O 3.36Å; Q317-Q363 PolarHBondContact O-OE1 3.22Å; Q317-G421 CarbonylContact O-C 3.42Å; Q317-P422 VanDerWaalsContact O-CD 3.29Å; Q317-P422 WeakPolarHBondContact O-CD 3.35Å
318	G	97.9	Very high	97.3	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	7%	0.071	C	C	.	.	G	3₁₀ helix	trans	77.7	5.3	-171.5	0	0	0	0	0	113.8	A313 F314 Y315 N316 C320 F420 G421	A313-G318 VanDerWaalsContact O-CA 3.29Å; A313-G318 WeakPolarHBondContact O-CA 3.27Å; F314-G318 PolarHBondContact O-N 3.07Å; Y315-G318 PolarHBondContact O-N 3.22Å; N316-G318 PolarHBondContact O-N 3.18Å; N316-G318 VanDerWaalsContact O-N 3.15Å; G318-C320 PolarHBondContact O-N 3.49Å; G318-C320 VanDerWaalsContact O-N 3.09Å; G318-F420 CarbonylContact O-C 3.58Å; G318-G421 PolarHBondContact O-N 3.21Å
319	Q	98.6	Very high	97.3	Very high	2 Å²	2	12.6 Å²	12.6	1%	0.009	6%	0.063	C	C	.	.			trans	-87.7	61	178	-52.9	175.6	126.2	0	0	109.5	W180 N181 N316 Q317 F420	W180-Q319 HydrophobicContact CH2-CB 3.93Å; W180-Q319 HydrophobicContact CH2-CG 3.98Å; W180-Q319 HydrophobicContact CZ3-CB 3.73Å; W180-Q319 VanDerWaalsContact CZ3-CD 3.42Å; W180-Q319 HydrophobicContact CZ3-CG 3.97Å; N181-Q319 HydrophobicContact CB-CB 4.39Å; N181-Q319 VanDerWaalsContact CB-O 3.3Å; N181-Q319 WeakPolarHBondContact CB-O 3.3Å; N181-Q319 PolarHBondContact ND2-O 3.2Å; N316-Q319 PolarHBondContact ND2-O 2.89Å; N316-Q319 VanDerWaalsContact O-CB 3.28Å; N316-Q319 WeakPolarHBondContact O-CB 3.21Å; N316-Q319 PolarHBondContact O-N 3.37Å; Q317-Q319 HydrophobicContact CB-CG 4.31Å; Q317-Q319 PolarHBondContact O-N 2.99Å; Q319-F420 HydrophobicContact CB-CD1 3.86Å; Q319-F420 HydrophobicContact CB-CE1 3.76Å; Q319-F420 HydrophobicContact CB-CZ 4.44Å; Q319-F420 HydrophobicContact CG-CD1 4.28Å
320	C	97.9	Very high	97.3	Very high	8 Å²	8	14.7 Å²	14.7	5%	0.054	7%	0.073	C	C	.	.			trans	-135.8	133.9	-179.2	-163.9	0	0	0	0	110.1	F182 G318 T322 A323 F420	F182-C320 HydrophobicContact CE2-CB 4.07Å; F182-C320 VanDerWaalsContact CE2-SG 3.55Å; F182-C320 HydrophobicContact CZ-CB 4.26Å; G318-C320 PolarHBondContact O-N 3.49Å; G318-C320 VanDerWaalsContact O-N 3.09Å; C320-T322 PolarHBondContact O-N 3.08Å; C320-T322 PolarHBondContact SG-OG1 3.4Å; C320-A323 WeakPolarHBondContact O-CB 3.2Å; C320-A323 PolarHBondContact O-N 3.27Å; C320-F420 VanDerWaalsContact C-CE2 3.44Å
321	C	97.6	Very high	97.3	Very high	29 Å²	29	18.1 Å²	18.1	20%	0.196	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-27.5	177.4	57.6	0	0	0	0	111.4	N292 A323 L446	N292-C321 PolarHBondContact ND2-O 2.9Å; C321-A323 VanDerWaalsContact C-N 3.29Å; C321-A323 PolarHBondContact O-N 3.04Å; C321-L446 HydrophobicContact CB-CD2 3.56Å; C321-L446 WeakPolarHBondContact O-CD2 3.23Å
322	T	98.3	Very high	97.5	Very high	6 Å²	6	23 Å²	23	4%	0.037	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	2.6	175	65.1	0	0	0	0	113.7	N292 C320 A324 V447 W471 Y475 N476 F484	N292-T322 WeakPolarHBondContact ND2-CA 3.37Å; N292-T322 PolarHBondContact ND2-O 2.81Å; C320-T322 PolarHBondContact O-N 3.08Å; C320-T322 PolarHBondContact SG-OG1 3.4Å; T322-A324 PolarHBondContact O-N 3.38Å; T322-V447 HydrophobicContact CG2-CG1 3.91Å; T322-V447 HydrophobicContact CG2-CG2 4.25Å; T322-W471 HydrophobicContact CG2-CH2 4Å; T322-Y475 WeakPolarHBondContact O-CE1 3.4Å; T322-Y475 VanDerWaalsContact O-CZ 3.28Å; T322-Y475 PolarHBondContact O-OH 3.49Å; T322-N476 WeakPolarHBondContact CB-OD1 3.45Å; T322-N476 PolarHBondContact OG1-OD1 3.31Å; T322-F484 HydrophobicContact CG2-CE2 3.66Å; T322-F484 HydrophobicContact CG2-CZ 3.62Å
323	A	98.1	Very high	97.8	Very high	13 Å²	13	24.1 Å²	24.1	11%	0.107	11%	0.112	C	C	.	.			trans	-50.5	130.8	-172.5	0	0	0	0	0	112.9	N292 G312 C320 C321 S325	N292-A323 WeakPolarHBondContact CB-O 3.43Å; N292-A323 PolarHBondContact ND2-N 2.97Å; N292-A323 PolarHBondContact ND2-O 3.43Å; N292-A323 VanDerWaalsContact ND2-O 3.08Å; G312-A323 WeakPolarHBondContact O-CA 3.43Å; C320-A323 WeakPolarHBondContact O-CB 3.2Å; C320-A323 PolarHBondContact O-N 3.27Å; C321-A323 VanDerWaalsContact C-N 3.29Å; C321-A323 PolarHBondContact O-N 3.04Å; A323-S325 PolarHBondContact O-N 3.4Å
324	A	96.9	Very high	97.8	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.008	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	90	176.3	0	0	0	0	0	109.7	C294 I309 G312 A313 T322 L424 Y475	C294-A324 VanDerWaalsContact SG-CB 3.5Å; I309-A324 HydrophobicContact CG2-CB 4.21Å; G312-A324 PolarHBondContact O-N 3.45Å; A313-A324 HydrophobicContact CB-CB 4.12Å; A313-A324 WeakPolarHBondContact CB-O 3.34Å; T322-A324 PolarHBondContact O-N 3.38Å; A324-L424 VanDerWaalsContact O-CD1 3.29Å; A324-L424 WeakPolarHBondContact O-CD1 3.18Å; A324-Y475 WeakPolarHBondContact CA-OH 3.36Å; A324-Y475 HydrophobicContact CB-CE1 4.02Å; A324-Y475 HydrophobicContact CB-CE2 4.07Å; A324-Y475 PolarHBondContact N-OH 3.4Å
325	S	92.9	Very high	97.9	Very high	12 Å²	12	30.3 Å²	30.3	8%	0.084	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	-19	-167	59.8	0	0	0	0	114.2	K291 N292 A323 C425	K291-S325 WeakPolarHBondContact CA-OG 3.23Å; K291-S325 WeakPolarHBondContact CD-OG 3.41Å; N292-S325 PolarHBondContact N-OG 2.9Å; N292-S325 PolarHBondContact O-N 3.26Å; A323-S325 PolarHBondContact O-N 3.4Å; S325-C425 WeakPolarHBondContact O-CB 3.5Å
326	R	98.6	Very high	98	Very high	11 Å²	11	31.1 Å²	31.1	4%	0.042	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	109.9	170.4	-65	-176.8	-65	146.9	-0.8	110.2	K291 N292 P293 C294 F328 A415 F427 R438 A439	K291-R326 HydrophobicContact CD-CG 4.46Å; K291-R326 HydrophobicContact CG-CG 3.89Å; K291-R326 PolarHBondContact O-NE 2.87Å; K291-R326 PolarHBondContact O-NH2 3.04Å; N292-R326 PolarHBondContact O-N 3.02Å; N292-R326 VanDerWaalsContact O-N 3.17Å; P293-R326 CarbonylContact C-O 3.4Å; P293-R326 VanDerWaalsContact CA-O 3.31Å; P293-R326 WeakPolarHBondContact CA-O 3.31Å; C294-R326 PolarHBondContact N-O 3.28Å; R326-F328 HydrophobicContact CB-CD2 4.44Å; R326-F328 HydrophobicContact CB-CE2 3.73Å; R326-F328 HydrophobicContact CB-CZ 4.23Å; R326-A415 WeakPolarHBondContact CD-O 3.45Å; R326-F427 HydrophobicContact CB-CD2 4.32Å; R326-F427 HydrophobicContact CB-CE2 3.8Å; R326-F427 HydrophobicContact CB-CZ 4.47Å; R326-F427 HydrophobicContact CG-CE2 3.85Å; R326-F427 HydrophobicContact CG-CZ 4.08Å; R326-R438 PolarHBondContact NH1-O 3.05Å; R326-A439 PolarHBondContact NH1-O 2.97Å; R326-A439 PolarHBondContact NH2-O 3.33Å
327	V	98.9	Very high	98.1	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	106.2	179.4	-172	0	0	0	0	109.5	C294 V296 I309 V329 F337 L424 C425 I426 F427	C294-V327 HydrophobicContact CB-CG1 4.31Å; C294-V327 HydrophobicContact CB-CG2 4.22Å; C294-V327 CarbonylContact O-C 3.55Å; C294-V327 WeakPolarHBondContact O-CA 3.46Å; V296-V327 HydrophobicContact CG2-CG1 4Å; I309-V327 HydrophobicContact CD1-CG1 3.99Å; I309-V327 HydrophobicContact CG2-CG1 4.28Å; I309-V327 HydrophobicContact CG2-CG2 3.52Å; V327-V329 HydrophobicContact CG1-CG2 3.8Å; V327-F337 HydrophobicContact CG1-CE1 3.84Å; V327-F337 HydrophobicContact CG1-CZ 3.71Å; V327-L424 HydrophobicContact CG2-CD1 3.37Å; V327-L424 HydrophobicContact CG2-CG 4.18Å; V327-C425 PolarHBondContact N-O 3.41Å; V327-I426 CarbonylContact O-C 3.45Å; V327-I426 WeakPolarHBondContact O-CA 3.02Å; V327-F427 PolarHBondContact O-N 2.95Å
328	F	98.9	Very high	98.1	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	118.2	174.1	-60.7	-87.3	0	0	0	109	P293 C294 I295 V296 R326 F427 F429 V435 R438	P293-F328 HydrophobicContact CB-CD2 4.12Å; P293-F328 HydrophobicContact CB-CE2 3.81Å; C294-F328 PolarHBondContact O-N 3.36Å; I295-F328 CarbonylContact C-O 3.56Å; V296-F328 PolarHBondContact N-O 2.88Å; R326-F328 HydrophobicContact CB-CD2 4.44Å; R326-F328 HydrophobicContact CB-CE2 3.73Å; R326-F328 HydrophobicContact CB-CZ 4.23Å; F328-F427 WeakPolarHBondContact CA-O 3Å; F328-F427 HydrophobicContact CD1-CB 3.64Å; F328-F427 HydrophobicContact CD1-CG 4.12Å; F328-F427 HydrophobicContact CE1-CB 3.94Å; F328-F427 HydrophobicContact CE1-CD1 4.19Å; F328-F427 HydrophobicContact CE1-CD2 4.42Å; F328-F427 AromaticContact CE1-CG 3.95Å; F328-F427 HydrophobicContact CE1-CG 3.95Å; F328-F427 HydrophobicContact CG-CB 4.36Å; F328-F429 HydrophobicContact CB-CD1 3.76Å; F328-F429 HydrophobicContact CB-CE1 4.2Å; F328-F429 WeakPolarHBondContact O-CE1 3.27Å; F328-V435 HydrophobicContact CB-CG2 3.47Å; F328-V435 VanDerWaalsContact CB-CG2 3.47Å; F328-V435 HydrophobicContact CD1-CG2 4.15Å; F328-V435 HydrophobicContact CD2-CG2 4.36Å; F328-V435 HydrophobicContact CG-CG2 3.75Å; F328-R438 HydrophobicContact CE1-CB 4.07Å; F328-R438 HydrophobicContact CZ-CB 4.39Å
329	V	98.9	Very high	98.1	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	133.7	-178.7	-174.2	0	0	0	0	109.8	V296 V327 D331 I333 Y334 F337 I426 F427 S428 F429	V296-V329 HydrophobicContact CB-CG1 4.39Å; V296-V329 HydrophobicContact CB-CG2 4.25Å; V296-V329 HydrophobicContact CG2-CG2 4.34Å; V327-V329 HydrophobicContact CG1-CG2 3.8Å; V329-D331 PolarHBondContact O-N 3.39Å; V329-I333 HydrophobicContact CG1-CD1 3.93Å; V329-I333 HydrophobicContact CG1-CG1 3.78Å; V329-Y334 HydrophobicContact CB-CD2 4.16Å; V329-F337 HydrophobicContact CG1-CB 3.79Å; V329-F337 HydrophobicContact CG1-CD2 4.34Å; V329-F337 HydrophobicContact CG1-CG 4Å; V329-F337 HydrophobicContact CG2-CB 4.31Å; V329-F337 HydrophobicContact CG2-CD1 3.58Å; V329-F337 HydrophobicContact CG2-CD2 4.11Å; V329-F337 HydrophobicContact CG2-CE1 3.89Å; V329-F337 HydrophobicContact CG2-CE2 4.39Å; V329-F337 HydrophobicContact CG2-CG 3.72Å; V329-F337 HydrophobicContact CG2-CZ 4.3Å; V329-I426 HydrophobicContact CG2-CG2 3.84Å; V329-F427 PolarHBondContact N-O 2.62Å; V329-S428 WeakPolarHBondContact O-CA 3.41Å; V329-F429 WeakPolarHBondContact O-CD1 3.47Å; V329-F429 PolarHBondContact O-N 3.05Å
330	Q	98.8	Very high	98.1	Very high	44 Å²	44	39.1 Å²	39.1	21%	0.206	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	132.7	-179.8	-165.2	170	17.7	0	0	110.3	V296 A298 R332 I333 Y334 F429 K430	V296-Q330 PolarHBondContact O-N 3.36Å; A298-Q330 HydrophobicContact CB-CB 4.34Å; A298-Q330 HydrophobicContact CB-CG 4.46Å; A298-Q330 VanDerWaalsContact CB-OE1 3.29Å; Q330-R332 PolarHBondContact O-N 2.59Å; Q330-I333 VanDerWaalsContact O-CG1 3.31Å; Q330-I333 WeakPolarHBondContact O-CG1 3.29Å; Q330-I333 PolarHBondContact O-N 2.74Å; Q330-Y334 PolarHBondContact O-N 3.15Å; Q330-F429 WeakPolarHBondContact CA-O 3.2Å; Q330-F429 HydrophobicContact CB-CE1 3.92Å; Q330-F429 HydrophobicContact CB-CE2 4.07Å; Q330-F429 HydrophobicContact CB-CZ 3.64Å; Q330-F429 HydrophobicContact CG-CE2 4.08Å; Q330-F429 HydrophobicContact CG-CZ 4.17Å; Q330-K430 PolarHBondContact NE2-O 3.39Å
331	D	97.5	Very high	98.2	Very high	79 Å²	79	38.7 Å²	38.7	42%	0.422	17%	0.174	S	C	.	.	G	3₁₀ helix	trans	-41.6	-44.4	-172.6	60.9	-5.2	0	0	0	115.1	V329 I333 Y334 F429	V329-D331 PolarHBondContact O-N 3.39Å; D331-I333 PolarHBondContact O-N 2.82Å; D331-I333 VanDerWaalsContact O-N 3.14Å; D331-Y334 WeakPolarHBondContact O-CB 3.09Å; D331-Y334 PolarHBondContact O-N 2.97Å; D331-F429 PolarHBondContact N-O 2.97Å
332	R	97.5	Very high	98.2	Very high	219 Å²	219	38.6 Å²	38.6	83%	0.826	17%	0.171	S	C	*	.	G	3₁₀ helix	trans	-57.9	-28.1	-179.1	-174.5	174.1	178.6	175.2	0.4	114.8	A298 Q330	A298-R332 HydrophobicContact CB-CB 4.36Å; Q330-R332 PolarHBondContact O-N 2.59Å
333	I	98.6	Very high	98.2	Very high	25 Å²	25	42.8 Å²	42.8	13%	0.128	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-116.6	5.4	-178	58.5	156	0	0	0	112.8	V296 A298 L302 V329 Q330 D331 E336 F337	V296-I333 HydrophobicContact CG1-CD1 3.88Å; A298-I333 HydrophobicContact CB-CG1 4.24Å; A298-I333 HydrophobicContact CB-CG2 3.99Å; L302-I333 HydrophobicContact CD1-CD1 4.05Å; V329-I333 HydrophobicContact CG1-CD1 3.93Å; V329-I333 HydrophobicContact CG1-CG1 3.78Å; Q330-I333 VanDerWaalsContact O-CG1 3.31Å; Q330-I333 WeakPolarHBondContact O-CG1 3.29Å; Q330-I333 PolarHBondContact O-N 2.74Å; D331-I333 PolarHBondContact O-N 2.82Å; D331-I333 VanDerWaalsContact O-N 3.14Å; I333-E336 PolarHBondContact O-N 3.03Å; I333-F337 WeakPolarHBondContact O-CB 3.19Å; I333-F337 PolarHBondContact O-N 3.01Å
334	Y	98.9	Very high	98.2	Very high	15 Å²	15	43.4 Å²	43.4	6%	0.059	19%	0.192	C	C	.	.	H	α-helix	trans	-59.1	-54.5	-172.1	175.5	-91.1	0	0	0	112.9	V329 Q330 D331 E336 F337 V338 S406 E407 I426	V329-Y334 HydrophobicContact CB-CD2 4.16Å; Q330-Y334 PolarHBondContact O-N 3.15Å; D331-Y334 WeakPolarHBondContact O-CB 3.09Å; D331-Y334 PolarHBondContact O-N 2.97Å; Y334-E336 VanDerWaalsContact C-N 3.33Å; Y334-E336 PolarHBondContact O-N 2.66Å; Y334-F337 WeakPolarHBondContact O-CB 3.23Å; Y334-F337 PolarHBondContact O-N 2.84Å; Y334-V338 HydrophobicContact CD1-CG2 4.44Å; Y334-V338 HydrophobicContact CE1-CG2 4.05Å; Y334-V338 HydrophobicContact CE2-CG2 4.37Å; Y334-V338 WeakPolarHBondContact O-CG2 3.13Å; Y334-V338 PolarHBondContact O-N 2.99Å; Y334-S406 WeakPolarHBondContact OH-CB 3.46Å; Y334-E407 PolarHBondContact OH-N 2.91Å; Y334-I426 HydrophobicContact CD2-CG2 4.34Å; Y334-I426 HydrophobicContact CE2-CG2 3.8Å
335	E	98.7	Very high	98.2	Very high	127 Å²	127	43.4 Å²	43.4	59%	0.593	19%	0.191	S	C	*	.	H	α-helix	trans	-60.7	-42.3	-178.2	-65.6	-58.1	144.6	0	0	112	V338 R339	E335-V338 PolarHBondContact O-N 2.9Å; E335-R339 WeakPolarHBondContact O-CB 3.33Å; E335-R339 PolarHBondContact O-N 2.98Å
336	E	98.8	Very high	98.4	Very high	61 Å²	61	49.1 Å²	49.1	29%	0.285	22%	0.215	S	C	.	.	H	α-helix	trans	-68.9	-36.1	179	-179.4	62.5	-173.6	0	0	111.8	L302 I333 Y334 R339 R340	L302-E336 HydrophobicContact CD2-CB 4.17Å; L302-E336 HydrophobicContact CD2-CG 3.51Å; I333-E336 PolarHBondContact O-N 3.03Å; Y334-E336 VanDerWaalsContact C-N 3.33Å; Y334-E336 PolarHBondContact O-N 2.66Å; E336-R339 IonicContact OE1-CZ 3.31Å; E336-R339 IonicContact OE1-NE 3.92Å; E336-R339 IonicContact OE1-NH2 3.69Å; E336-R339 PolarHBondContact OE1-NH2 3.13Å; E336-R339 IonicContact OE2-CZ 3.64Å; E336-R339 IonicContact OE2-NE 3.39Å; E336-R339 PolarHBondContact OE2-NE 3.23Å; E336-R339 IonicContact OE2-NH2 3.52Å; E336-R339 PolarHBondContact OE2-NH2 2.62Å; E336-R340 WeakPolarHBondContact O-CB 3.35Å; E336-R340 WeakPolarHBondContact O-CG 3.3Å; E336-R340 PolarHBondContact O-N 3.48Å; E336-R340 IonicContact OE1-CZ 3.21Å; E336-R340 VanDerWaalsContact OE1-CZ 3.31Å; E336-R340 IonicContact OE1-NE 2.85Å; E336-R340 PolarHBondContact OE1-NE 3.11Å; E336-R340 IonicContact OE1-NH2 3.89Å; E336-R340 PolarHBondContact OE1-NH2 3.37Å
337	F	98.9	Very high	98.3	Very high	1 Å²	1	55 Å²	55	0%	0.004	24%	0.24	C	C	.	.	H	α-helix	trans	-63	-45.6	173.2	-175.4	-82.1	0	0	0	111.5	V296 L302 V306 I309 V327 V329 I333 Y334 R340 S341 I426	V296-F337 HydrophobicContact CG1-CD2 4.18Å; V296-F337 HydrophobicContact CG1-CE2 4.22Å; V296-F337 HydrophobicContact CG2-CE2 4Å; V296-F337 HydrophobicContact CG2-CZ 4.45Å; L302-F337 HydrophobicContact CD1-CB 4.07Å; L302-F337 HydrophobicContact CD1-CD2 3.61Å; L302-F337 HydrophobicContact CD1-CG 4.32Å; V306-F337 HydrophobicContact CG2-CD2 3.71Å; V306-F337 HydrophobicContact CG2-CE2 3.64Å; V306-F337 HydrophobicContact CG2-CG 4.28Å; V306-F337 HydrophobicContact CG2-CZ 4.18Å; I309-F337 HydrophobicContact CD1-CE2 3.96Å; I309-F337 HydrophobicContact CD1-CZ 3.83Å; I309-F337 HydrophobicContact CG2-CZ 4.49Å; V327-F337 HydrophobicContact CG1-CE1 3.84Å; V327-F337 HydrophobicContact CG1-CZ 3.71Å; V329-F337 HydrophobicContact CG1-CB 3.79Å; V329-F337 HydrophobicContact CG1-CD2 4.34Å; V329-F337 HydrophobicContact CG1-CG 4Å; V329-F337 HydrophobicContact CG2-CB 4.31Å; V329-F337 HydrophobicContact CG2-CD1 3.58Å; V329-F337 HydrophobicContact CG2-CD2 4.11Å; V329-F337 HydrophobicContact CG2-CE1 3.89Å; V329-F337 HydrophobicContact CG2-CE2 4.39Å; V329-F337 HydrophobicContact CG2-CG 3.72Å; V329-F337 HydrophobicContact CG2-CZ 4.3Å; I333-F337 WeakPolarHBondContact O-CB 3.19Å; I333-F337 PolarHBondContact O-N 3.01Å; Y334-F337 WeakPolarHBondContact O-CB 3.23Å; Y334-F337 PolarHBondContact O-N 2.84Å; F337-R340 PolarHBondContact O-N 3.4Å; F337-S341 VanDerWaalsContact CE1-OG 3.3Å; F337-S341 WeakPolarHBondContact CE1-OG 3.5Å; F337-S341 VanDerWaalsContact O-CB 3.29Å; F337-S341 WeakPolarHBondContact O-CB 3.24Å; F337-S341 PolarHBondContact O-N 3.01Å; F337-S341 PolarHBondContact O-OG 3.17Å; F337-I426 HydrophobicContact CD1-CD1 4.11Å; F337-I426 HydrophobicContact CD1-CG2 4.22Å; F337-I426 HydrophobicContact CE1-CD1 4Å; F337-I426 HydrophobicContact CE1-CG1 4.4Å; F337-I426 HydrophobicContact CE1-CG2 4.44Å
338	V	98.9	Very high	98.2	Very high	4 Å²	4	56.8 Å²	56.8	2%	0.024	25%	0.25	C	C	.	.	H	α-helix	trans	-60.5	-49.5	177.1	173.7	0	0	0	0	110.1	Y334 E335 R340 S341 I342 E387 I426	Y334-V338 HydrophobicContact CD1-CG2 4.44Å; Y334-V338 HydrophobicContact CE1-CG2 4.05Å; Y334-V338 HydrophobicContact CE2-CG2 4.37Å; Y334-V338 WeakPolarHBondContact O-CG2 3.13Å; Y334-V338 PolarHBondContact O-N 2.99Å; E335-V338 PolarHBondContact O-N 2.9Å; V338-R340 PolarHBondContact O-N 3.07Å; V338-S341 WeakPolarHBondContact O-CB 3.48Å; V338-S341 PolarHBondContact O-N 3.45Å; V338-S341 VanDerWaalsContact O-N 3.17Å; V338-I342 HydrophobicContact CG1-CD1 4.11Å; V338-I342 WeakPolarHBondContact O-CG1 3.1Å; V338-I342 PolarHBondContact O-N 2.88Å; V338-E387 HydrophobicContact CG1-CG 3.88Å; V338-I426 HydrophobicContact CG2-CD1 4.03Å; V338-I426 HydrophobicContact CG2-CG2 4.09Å
339	R	98.8	Very high	98.1	Very high	101 Å²	101	59.9 Å²	59.9	38%	0.381	27%	0.268	S	S	.	.	H	α-helix	trans	-55.5	-51.2	178.5	-169.5	-168.2	68.7	71.5	7.3	112.1	E335 E336 S341 I342 E343	E335-R339 WeakPolarHBondContact O-CB 3.33Å; E335-R339 PolarHBondContact O-N 2.98Å; E336-R339 IonicContact OE1-CZ 3.31Å; E336-R339 IonicContact OE1-NE 3.92Å; E336-R339 IonicContact OE1-NH2 3.69Å; E336-R339 PolarHBondContact OE1-NH2 3.13Å; E336-R339 IonicContact OE2-CZ 3.64Å; E336-R339 IonicContact OE2-NE 3.39Å; E336-R339 PolarHBondContact OE2-NE 3.23Å; E336-R339 IonicContact OE2-NH2 3.52Å; E336-R339 PolarHBondContact OE2-NH2 2.62Å; R339-S341 VanDerWaalsContact C-N 3.31Å; R339-S341 PolarHBondContact O-N 3.45Å; R339-I342 PolarHBondContact O-N 3.26Å; R339-E343 IonicContact CZ-OE1 2.73Å; R339-E343 IonicContact CZ-OE2 2.99Å; R339-E343 IonicContact NH1-OE1 3.85Å; R339-E343 PolarHBondContact NH1-OE1 3.4Å; R339-E343 IonicContact NH1-OE2 2.74Å; R339-E343 PolarHBondContact NH1-OE2 2.79Å; R339-E343 IonicContact NH2-OE2 3.91Å; R339-E343 PolarHBondContact O-N 3.1Å; R339-E343 VanDerWaalsContact O-N 3.16Å
340	R	98.7	Very high	98	Very high	65 Å²	65	62 Å²	62	25%	0.245	28%	0.279	C	S	.	.	H	α-helix	trans	-65.2	-34.1	178.8	-72.2	-176.1	-170.7	-149	4	112.8	V306 E336 F337 V338 I342 E343 N344	V306-R340 HydrophobicContact CG1-CB 4.28Å; V306-R340 HydrophobicContact CG2-CB 3.93Å; E336-R340 WeakPolarHBondContact O-CB 3.35Å; E336-R340 WeakPolarHBondContact O-CG 3.3Å; E336-R340 PolarHBondContact O-N 3.48Å; E336-R340 IonicContact OE1-CZ 3.21Å; E336-R340 VanDerWaalsContact OE1-CZ 3.31Å; E336-R340 IonicContact OE1-NE 2.85Å; E336-R340 PolarHBondContact OE1-NE 3.11Å; E336-R340 IonicContact OE1-NH2 3.89Å; E336-R340 PolarHBondContact OE1-NH2 3.37Å; F337-R340 PolarHBondContact O-N 3.4Å; V338-R340 PolarHBondContact O-N 3.07Å; R340-I342 VanDerWaalsContact C-N 3.35Å; R340-E343 PolarHBondContact O-N 3.33Å; R340-N344 WeakPolarHBondContact O-CB 3.42Å; R340-N344 PolarHBondContact O-N 2.83Å
341	S	98.6	Very high	97.9	Very high	0 Å²	0	61 Å²	61	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-62.1	-44.3	175.5	-64.6	0	0	0	0	110.9	Q310 F337 V338 R339 E343 N344 A345 I404	Q310-S341 VanDerWaalsContact NE2-C 3.28Å; Q310-S341 PolarHBondContact NE2-O 2.93Å; F337-S341 VanDerWaalsContact CE1-OG 3.3Å; F337-S341 WeakPolarHBondContact CE1-OG 3.5Å; F337-S341 VanDerWaalsContact O-CB 3.29Å; F337-S341 WeakPolarHBondContact O-CB 3.24Å; F337-S341 PolarHBondContact O-N 3.01Å; F337-S341 PolarHBondContact O-OG 3.17Å; V338-S341 WeakPolarHBondContact O-CB 3.48Å; V338-S341 PolarHBondContact O-N 3.45Å; V338-S341 VanDerWaalsContact O-N 3.17Å; R339-S341 VanDerWaalsContact C-N 3.31Å; R339-S341 PolarHBondContact O-N 3.45Å; S341-E343 PolarHBondContact O-N 2.8Å; S341-N344 PolarHBondContact O-N 3.1Å; S341-A345 WeakPolarHBondContact O-CB 3.49Å; S341-A345 PolarHBondContact O-N 3.02Å; S341-I404 WeakPolarHBondContact O-CD1 3.43Å
342	I	98.6	Very high	97.8	Very high	27 Å²	27	61.7 Å²	61.7	14%	0.138	29%	0.285	C	S	.	.	H	α-helix	trans	-61	-46.2	175.9	-61.6	160.2	0	0	0	110.7	V338 R339 R340 N344 A345 K346 E387 Y388 I404	V338-I342 HydrophobicContact CG1-CD1 4.11Å; V338-I342 WeakPolarHBondContact O-CG1 3.1Å; V338-I342 PolarHBondContact O-N 2.88Å; R339-I342 PolarHBondContact O-N 3.26Å; R340-I342 VanDerWaalsContact C-N 3.35Å; I342-N344 VanDerWaalsContact C-N 3.32Å; I342-N344 PolarHBondContact O-N 2.77Å; I342-A345 PolarHBondContact O-N 3.1Å; I342-K346 HydrophobicContact CG2-CD 4.47Å; I342-K346 WeakPolarHBondContact O-CG 3.34Å; I342-K346 PolarHBondContact O-N 3.42Å; I342-E387 HydrophobicContact CD1-CB 3.8Å; I342-E387 HydrophobicContact CD1-CG 4.38Å; I342-E387 HydrophobicContact CG1-CB 3.95Å; I342-Y388 HydrophobicContact CG2-CD2 4.36Å; I342-I404 HydrophobicContact CG1-CD1 4.48Å
343	E	98.3	Very high	97.8	Very high	93 Å²	93	51.3 Å²	51.3	44%	0.435	25%	0.246	S	C	.	.	H	α-helix	trans	-62.4	-38.4	179.4	-70.8	179.9	163.1	0	0	113	R339 R340 S341	R339-E343 IonicContact CZ-OE1 2.73Å; R339-E343 IonicContact CZ-OE2 2.99Å; R339-E343 IonicContact NH1-OE1 3.85Å; R339-E343 PolarHBondContact NH1-OE1 3.4Å; R339-E343 IonicContact NH1-OE2 2.74Å; R339-E343 PolarHBondContact NH1-OE2 2.79Å; R339-E343 IonicContact NH2-OE2 3.91Å; R339-E343 PolarHBondContact O-N 3.1Å; R339-E343 VanDerWaalsContact O-N 3.16Å; R340-E343 PolarHBondContact O-N 3.33Å; S341-E343 PolarHBondContact O-N 2.8Å
344	N	97.9	Very high	97.7	Very high	27 Å²	27	52.3 Å²	52.3	14%	0.144	25%	0.251	C	S	.	.	H	α-helix	trans	-75.5	-36.6	179.6	-162.5	68.1	0	0	0	112.2	V306 Q310 R340 S341 I342 K346 K347	V306-N344 HydrophobicContact CG1-CB 4.02Å; Q310-N344 VanDerWaalsContact OE1-CB 3.25Å; Q310-N344 PolarHBondContact OE1-ND2 3.43Å; R340-N344 WeakPolarHBondContact O-CB 3.42Å; R340-N344 PolarHBondContact O-N 2.83Å; S341-N344 PolarHBondContact O-N 3.1Å; I342-N344 VanDerWaalsContact C-N 3.32Å; I342-N344 PolarHBondContact O-N 2.77Å; N344-K346 VanDerWaalsContact C-N 3.29Å; N344-K346 PolarHBondContact O-N 2.98Å; N344-K347 WeakPolarHBondContact O-CB 3.36Å; N344-K347 PolarHBondContact O-N 3.38Å; N344-K347 VanDerWaalsContact O-N 3.13Å; N344-K347 PolarHBondContact OD1-NZ 3.29Å
345	A	97.1	Very high	97.6	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-63.7	-33.4	175.6	0	0	0	0	0	112.7	F314 S341 I342 K347 I348 Y388 I404	F314-A345 HydrophobicContact CE2-CB 4.28Å; S341-A345 WeakPolarHBondContact O-CB 3.49Å; S341-A345 PolarHBondContact O-N 3.02Å; I342-A345 PolarHBondContact O-N 3.1Å; A345-K347 PolarHBondContact O-N 2.89Å; A345-K347 VanDerWaalsContact O-N 3.15Å; A345-I348 WeakPolarHBondContact O-CB 3.25Å; A345-I348 WeakPolarHBondContact O-CG1 3.35Å; A345-I348 PolarHBondContact O-N 3.45Å; A345-I348 VanDerWaalsContact O-N 3.11Å; A345-Y388 HydrophobicContact CB-CD1 3.79Å; A345-Y388 HydrophobicContact CB-CE1 3.88Å; A345-I404 HydrophobicContact CB-CD1 3.76Å
346	K	96.8	Very high	97.4	Very high	133 Å²	133	51.3 Å²	51.3	58%	0.578	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-16.8	175	-74.7	172.2	179.6	176.4	0	114.4	I342 N344 I348 Y388	I342-K346 HydrophobicContact CG2-CD 4.47Å; I342-K346 WeakPolarHBondContact O-CG 3.34Å; I342-K346 PolarHBondContact O-N 3.42Å; N344-K346 VanDerWaalsContact C-N 3.29Å; N344-K346 PolarHBondContact O-N 2.98Å; K346-I348 VanDerWaalsContact C-N 3.32Å; K346-Y388 HydrophobicContact CD-CE2 4.5Å; K346-Y388 HydrophobicContact CG-CD2 4.25Å; K346-Y388 HydrophobicContact CG-CE2 3.58Å
347	K	96.3	Very high	97.2	Very high	133 Å²	133	55.2 Å²	55.2	58%	0.578	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	-9.3	178.1	-56.6	172.9	-169.1	163.9	0	112.8	N344 A345 V349	N344-K347 WeakPolarHBondContact O-CB 3.36Å; N344-K347 PolarHBondContact O-N 3.38Å; N344-K347 VanDerWaalsContact O-N 3.13Å; N344-K347 PolarHBondContact OD1-NZ 3.29Å; A345-K347 PolarHBondContact O-N 2.89Å; A345-K347 VanDerWaalsContact O-N 3.15Å; K347-V349 PolarHBondContact O-N 3.17Å
348	I	96.4	Very high	97.1	Very high	38 Å²	38	55.6 Å²	55.6	20%	0.195	28%	0.275	C	S	.	.			trans	-70	122.4	-178.2	-66	171.7	0	0	0	109.2	F314 A345 K346 I350 H360 P402	F314-I348 HydrophobicContact CB-CD1 4.24Å; F314-I348 HydrophobicContact CD2-CD1 3.58Å; F314-I348 HydrophobicContact CE2-CD1 4.19Å; F314-I348 HydrophobicContact CG-CD1 4.13Å; A345-I348 WeakPolarHBondContact O-CB 3.25Å; A345-I348 WeakPolarHBondContact O-CG1 3.35Å; A345-I348 PolarHBondContact O-N 3.45Å; A345-I348 VanDerWaalsContact O-N 3.11Å; K346-I348 VanDerWaalsContact C-N 3.32Å; I348-I350 HydrophobicContact CG2-CG1 4.26Å; I348-H360 HydrophobicContact CG2-CB 3.49Å; I348-H360 VanDerWaalsContact CG2-CB 3.49Å; I348-P402 HydrophobicContact CB-CG 4.1Å; I348-P402 HydrophobicContact CD1-CB 3.82Å; I348-P402 HydrophobicContact CD1-CG 3.55Å; I348-P402 HydrophobicContact CG1-CG 4.42Å; I348-P402 HydrophobicContact CG2-CG 3.89Å
349	V	97.1	Very high	96.9	Very high	65 Å²	65	58.5 Å²	58.5	39%	0.394	29%	0.293	S	S	.	.			trans	-91.8	114	176.1	-176.4	0	0	0	0	108.7	K347 Q357 T359 H360	K347-V349 PolarHBondContact O-N 3.17Å; V349-Q357 WeakPolarHBondContact CB-O 3.26Å; V349-Q357 WeakPolarHBondContact CG1-O 3.22Å; V349-T359 PolarHBondContact N-OG1 2.87Å; V349-T359 PolarHBondContact O-N 2.69Å; V349-T359 PolarHBondContact O-OG1 3.28Å; V349-T359 VanDerWaalsContact O-OG1 3.1Å; V349-H360 PolarHBondContact O-N 2.88Å
350	I	97	Very high	96.8	Very high	44 Å²	44	53.8 Å²	53.8	23%	0.226	28%	0.275	C	S	.	.	B	Isolated β-bridge	trans	-99.3	132.4	176.7	-51.5	173.5	0	0	0	108.1	I348 H360 V393 F399	I348-I350 HydrophobicContact CG2-CG1 4.26Å; I350-H360 WeakPolarHBondContact CA-O 3.37Å; I350-H360 HydrophobicContact CG1-CB 4.16Å; I350-V393 HydrophobicContact CD1-CG2 3.84Å; I350-V393 HydrophobicContact CG2-CG2 4.35Å; I350-F399 HydrophobicContact CG2-CB 4.28Å; I350-F399 HydrophobicContact CG2-CD1 3.49Å; I350-F399 VanDerWaalsContact CG2-CD1 3.49Å; I350-F399 HydrophobicContact CG2-CE1 4.2Å; I350-F399 HydrophobicContact CG2-CG 4.25Å
351	G	95.9	Very high	96.8	Very high	24 Å²	24	50.7 Å²	50.7	25%	0.247	26%	0.263	C	S	.	.	S	Bend	trans	175.5	-160.8	-178.7	0	0	0	0	0	113.8	P353 H360 F399	G351-P353 VanDerWaalsContact O-CD 3.3Å; G351-P353 WeakPolarHBondContact O-CD 3.3Å; G351-H360 PolarHBondContact N-O 2.92Å; G351-F399 VanDerWaalsContact O-CE1 3.24Å; G351-F399 WeakPolarHBondContact O-CE1 3.33Å
352	D	96.5	Very high	96.8	Very high	93 Å²	93	50.7 Å²	50.7	50%	0.497	26%	0.263	S	S	.	.			trans	-56.1	119.9	174.5	-179.4	-4.6	0	0	0	109.5	L354 D355 T358	D352-L354 PolarHBondContact O-N 2.91Å; D352-L354 VanDerWaalsContact O-N 3.08Å; D352-L354 WeakPolarHBondContact OD1-CB 3.33Å; D352-L354 PolarHBondContact OD1-N 2.9Å; D352-D355 HydrophobicContact CB-CB 4.3Å; D352-D355 WeakPolarHBondContact O-CB 3.47Å; D352-D355 PolarHBondContact O-N 3.2Å; D352-T358 WeakPolarHBondContact O-CB 3.29Å; D352-T358 PolarHBondContact O-OG1 3.12Å
353	P	97.6	Very high	96.8	Very high	2 Å²	2	49.4 Å²	49.4	1%	0.013	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-20.5	177.6	-28.3	38.5	0	0	0	114.8	A55 T119 G123 P125 F126 G351	A55-P353 HydrophobicContact CB-CG 4Å; T119-P353 HydrophobicContact CG2-CB 3.51Å; G123-P353 WeakPolarHBondContact O-CB 3.41Å; G123-P353 WeakPolarHBondContact O-CG 3.4Å; P125-P353 CarbonylContact C-O 3.41Å; P125-P353 WeakPolarHBondContact CA-O 3.4Å; F126-P353 PolarHBondContact N-O 2.59Å; G351-P353 VanDerWaalsContact O-CD 3.3Å; G351-P353 WeakPolarHBondContact O-CD 3.3Å
354	L	96.7	Very high	96.8	Very high	46 Å²	46	45.4 Å²	45.4	24%	0.241	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-14.1	176.5	-63.1	175	0	0	0	113.4	P23 T116 T119 L120 F126 D352	P23-L354 HydrophobicContact CB-CD2 3.77Å; P23-L354 HydrophobicContact CG-CB 4.28Å; P23-L354 HydrophobicContact CG-CD2 4.28Å; T116-L354 HydrophobicContact CG2-CD2 4.21Å; T119-L354 HydrophobicContact CG2-CD2 3.53Å; T119-L354 HydrophobicContact CG2-CG 4.08Å; L120-L354 HydrophobicContact CD2-CD1 4.06Å; F126-L354 HydrophobicContact CB-CD2 4.43Å; D352-L354 PolarHBondContact O-N 2.91Å; D352-L354 VanDerWaalsContact O-N 3.08Å; D352-L354 WeakPolarHBondContact OD1-CB 3.33Å; D352-L354 PolarHBondContact OD1-N 2.9Å
355	D	96	Very high	96.8	Very high	68 Å²	68	45.8 Å²	45.8	36%	0.364	24%	0.24	S	C	.	.	S	Bend	trans	-72.8	126	174.1	-174	-30.6	0	0	0	109.9	D352 Q357 T358	D352-D355 HydrophobicContact CB-CB 4.3Å; D352-D355 WeakPolarHBondContact O-CB 3.47Å; D352-D355 PolarHBondContact O-N 3.2Å; D355-Q357 PolarHBondContact O-N 3.27Å; D355-Q357 VanDerWaalsContact O-N 3.11Å; D355-Q357 WeakPolarHBondContact OD1-CB 3.4Å; D355-Q357 PolarHBondContact OD1-N 2.92Å; D355-T358 WeakPolarHBondContact O-CB 3.39Å; D355-T358 PolarHBondContact O-N 3.42Å
356	P	94.2	Very high	96.8	Very high	53 Å²	53	50.4 Å²	50.4	34%	0.344	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-15.7	179.2	26.7	-36.7	0	0	0	114.7	L127	L127-P356 HydrophobicContact CD1-CB 4.12Å; L127-P356 WeakPolarHBondContact CD1-O 3.41Å
357	Q	95	Very high	96.9	Very high	143 Å²	143	51.2 Å²	51.2	67%	0.668	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-20.3	174.3	-59	-171.8	33.5	0	0	112.9	V349 D355 T359	V349-Q357 WeakPolarHBondContact CB-O 3.26Å; V349-Q357 WeakPolarHBondContact CG1-O 3.22Å; D355-Q357 PolarHBondContact O-N 3.27Å; D355-Q357 VanDerWaalsContact O-N 3.11Å; D355-Q357 WeakPolarHBondContact OD1-CB 3.4Å; D355-Q357 PolarHBondContact OD1-N 2.92Å; Q357-T359 PolarHBondContact O-N 3.05Å
358	T	96.1	Very high	97	Very high	9 Å²	9	45.9 Å²	45.9	6%	0.055	24%	0.244	C	C	.	.			trans	-69.3	129.8	-177.9	-65	0	0	0	0	110.8	P125 D352 D355 H360	P125-T358 HydrophobicContact CG-CG2 4.24Å; D352-T358 WeakPolarHBondContact O-CB 3.29Å; D352-T358 PolarHBondContact O-OG1 3.12Å; D355-T358 WeakPolarHBondContact O-CB 3.39Å; D355-T358 PolarHBondContact O-N 3.42Å; T358-H360 WeakPolarHBondContact CG2-O 3.42Å
359	T	95.4	Very high	97.1	Very high	65 Å²	65	45.3 Å²	45.3	40%	0.399	24%	0.241	S	C	.	.			trans	-113.8	-9.2	176.8	58.2	0	0	0	0	112.6	Q128 V349 Q357	Q128-T359 PolarHBondContact NE2-O 2.97Å; V349-T359 PolarHBondContact N-OG1 2.87Å; V349-T359 PolarHBondContact O-N 2.69Å; V349-T359 PolarHBondContact O-OG1 3.28Å; V349-T359 VanDerWaalsContact O-OG1 3.1Å; Q357-T359 PolarHBondContact O-N 3.05Å
360	H	97.3	Very high	97.1	Very high	2 Å²	2	47.5 Å²	47.5	1%	0.009	25%	0.247	C	C	.	.	B	Isolated β-bridge	trans	-146	117.3	-176.8	-157.2	87.7	0	0	0	111.1	Q317 I348 V349 I350 G351 T358	Q317-H360 VanDerWaalsContact CA-CE1 3.46Å; Q317-H360 WeakPolarHBondContact CA-CE1 3.16Å; I348-H360 HydrophobicContact CG2-CB 3.49Å; I348-H360 VanDerWaalsContact CG2-CB 3.49Å; V349-H360 PolarHBondContact O-N 2.88Å; I350-H360 WeakPolarHBondContact CA-O 3.37Å; I350-H360 HydrophobicContact CG1-CB 4.16Å; G351-H360 PolarHBondContact N-O 2.92Å; T358-H360 WeakPolarHBondContact CG2-O 3.42Å
361	G	97.9	Very high	97.2	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.255	C	S	.	.			trans	-91.7	-165.2	177.7	0	0	0	0	0	114.2	G123 Q317 F399	G123-G361 WeakPolarHBondContact O-CA 3.42Å; Q317-G361 VanDerWaalsContact CG-O 3.23Å; Q317-G361 WeakPolarHBondContact CG-O 3.45Å; G361-F399 VanDerWaalsContact C-CD1 3.48Å; G361-F399 VanDerWaalsContact C-CE1 3.46Å
362	P	98.4	Very high	97.3	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	24%	0.243	C	C	.	.			trans	-78.3	166.1	172.9	36.3	-39.9	0	0	0	112.6	P54 A55 G123 Q317 L398 F399	P54-P362 HydrophobicContact CB-CB 4.28Å; P54-P362 HydrophobicContact CB-CG 3.8Å; P54-P362 HydrophobicContact CG-CG 3.98Å; A55-P362 HydrophobicContact CB-CG 4.02Å; G123-P362 WeakPolarHBondContact O-CD 3.23Å; Q317-P362 WeakPolarHBondContact CG-O 3.36Å; P362-L398 HydrophobicContact CB-CB 3.94Å; P362-F399 HydrophobicContact CB-CD1 4.09Å; P362-F399 HydrophobicContact CB-CD2 3.95Å; P362-F399 HydrophobicContact CB-CE1 4.01Å; P362-F399 HydrophobicContact CB-CE2 3.86Å; P362-F399 HydrophobicContact CB-CG 4.09Å; P362-F399 HydrophobicContact CB-CZ 3.9Å; P362-F399 VanDerWaalsContact CD-CE1 3.46Å; P362-F399 HydrophobicContact CG-CE1 4.28Å; P362-F399 HydrophobicContact CG-CE2 4.4Å; P362-F399 HydrophobicContact CG-CZ 4.07Å; P362-F399 VanDerWaalsContact N-CE1 3.31Å
363	Q	98.7	Very high	97.4	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.229	C	C	.	.			trans	-71.5	157.1	163.4	-48.7	-46.7	-67.9	0	0	110.4	P54 Q317 D365 F369 I372 L398 I400	P54-Q363 VanDerWaalsContact CB-O 3.24Å; P54-Q363 WeakPolarHBondContact CB-O 3.36Å; Q317-Q363 PolarHBondContact O-OE1 3.22Å; Q363-D365 PolarHBondContact O-N 2.91Å; Q363-F369 HydrophobicContact CG-CD2 4.48Å; Q363-I372 HydrophobicContact CB-CD1 4.38Å; Q363-I372 HydrophobicContact CG-CD1 3.69Å; Q363-I372 VanDerWaalsContact OE1-CD1 3.25Å; Q363-L398 WeakPolarHBondContact CG-O 3.48Å; Q363-L398 PolarHBondContact N-O 3.14Å; Q363-I400 HydrophobicContact CG-CD1 3.66Å; Q363-I400 HydrophobicContact CG-CG1 3.96Å
364	I	98.6	Very high	97.5	Very high	9 Å²	9	47.7 Å²	47.7	5%	0.046	25%	0.246	C	C	.	.	S	Bend	trans	-64.2	-37.9	-168.8	-170.5	61.5	0	0	0	114.8	P54 W180 Q208 T209 Q368	P54-I364 WeakPolarHBondContact CB-O 3.23Å; W180-I364 HydrophobicContact CB-CG1 4.27Å; W180-I364 HydrophobicContact CD2-CB 4.07Å; W180-I364 HydrophobicContact CD2-CG1 3.81Å; W180-I364 HydrophobicContact CD2-CG2 3.81Å; W180-I364 HydrophobicContact CE3-CB 3.55Å; W180-I364 HydrophobicContact CE3-CD1 4.15Å; W180-I364 HydrophobicContact CE3-CG1 3.57Å; W180-I364 HydrophobicContact CE3-CG2 3.66Å; W180-I364 HydrophobicContact CG-CG1 4.1Å; W180-I364 HydrophobicContact CH2-CB 4.04Å; W180-I364 HydrophobicContact CH2-CG2 3.41Å; W180-I364 VanDerWaalsContact CH2-CG2 3.41Å; W180-I364 HydrophobicContact CZ2-CG2 3.58Å; W180-I364 HydrophobicContact CZ3-CB 3.56Å; W180-I364 HydrophobicContact CZ3-CG1 4.14Å; W180-I364 HydrophobicContact CZ3-CG2 3.48Å; W180-I364 VanDerWaalsContact CZ3-CG2 3.48Å; Q208-I364 HydrophobicContact CB-CD1 4.23Å; Q208-I364 HydrophobicContact CB-CG1 3.91Å; Q208-I364 HydrophobicContact CG-CG1 4.07Å; T209-I364 HydrophobicContact CG2-CD1 3.88Å; I364-Q368 HydrophobicContact CG2-CB 3.84Å; I364-Q368 HydrophobicContact CG2-CG 4.15Å
365	D	98.1	Very high	97.6	Very high	35 Å²	35	45.7 Å²	45.7	19%	0.187	24%	0.235	C	C	.	.	S	Bend	trans	-158.4	173.5	-176.9	65.6	32.1	0	0	0	111.3	Q208 Q363 Q367 Q368 F369	Q208-D365 PolarHBondContact NE2-OD2 3.06Å; Q363-D365 PolarHBondContact O-N 2.91Å; D365-Q367 VanDerWaalsContact C-N 3.33Å; D365-Q367 PolarHBondContact O-N 3.44Å; D365-Q367 PolarHBondContact OD1-N 3.03Å; D365-Q367 VanDerWaalsContact OD1-N 3.11Å; D365-Q368 PolarHBondContact O-N 3.18Å; D365-Q368 WeakPolarHBondContact OD1-CB 3.34Å; D365-Q368 PolarHBondContact OD1-N 3.01Å; D365-F369 WeakPolarHBondContact O-CB 3.44Å; D365-F369 PolarHBondContact O-N 2.91Å
366	Q	97.4	Very high	97.7	Very high	97 Å²	97	42.5 Å²	42.5	45%	0.453	22%	0.218	S	C	.	.	H	α-helix	trans	-62.7	-38.2	-178.5	-173.7	62.7	34.1	0	0	112.5	F369 E370 L398	Q366-F369 PolarHBondContact O-N 3.31Å; Q366-E370 HydrophobicContact CG-CG 4.46Å; Q366-E370 WeakPolarHBondContact CG-OE1 3.38Å; Q366-E370 PolarHBondContact NE2-OE1 3.26Å; Q366-E370 WeakPolarHBondContact O-CB 3.48Å; Q366-E370 WeakPolarHBondContact O-CG 3.42Å; Q366-E370 PolarHBondContact O-N 3.33Å; Q366-L398 HydrophobicContact CB-CD2 4.48Å
367	Q	97.6	Very high	97.9	Very high	150 Å²	150	43.3 Å²	43.3	70%	0.701	22%	0.218	S	C	*	.	H	α-helix	trans	-64.8	-45	-178.6	-176.4	-178.3	15.2	0	0	110.7	D365 K371	D365-Q367 VanDerWaalsContact C-N 3.33Å; D365-Q367 PolarHBondContact O-N 3.44Å; D365-Q367 PolarHBondContact OD1-N 3.03Å; D365-Q367 VanDerWaalsContact OD1-N 3.11Å; Q367-K371 WeakPolarHBondContact O-CB 3.19Å; Q367-K371 PolarHBondContact O-N 3.3Å
368	Q	98.6	Very high	98.1	Very high	20 Å²	20	36.9 Å²	36.9	9%	0.093	19%	0.188	C	C	.	.	H	α-helix	trans	-67.1	-41.8	177.5	-174.6	53	37.6	0	0	111.2	W180 I364 D365 E370 K371 I372 I419 F420	W180-Q368 HydrophobicContact CH2-CG 4.11Å; W180-Q368 HydrophobicContact CZ2-CG 4.3Å; I364-Q368 HydrophobicContact CG2-CB 3.84Å; I364-Q368 HydrophobicContact CG2-CG 4.15Å; D365-Q368 PolarHBondContact O-N 3.18Å; D365-Q368 WeakPolarHBondContact OD1-CB 3.34Å; D365-Q368 PolarHBondContact OD1-N 3.01Å; Q368-E370 PolarHBondContact O-N 2.83Å; Q368-K371 PolarHBondContact O-N 3.29Å; Q368-I372 HydrophobicContact CG-CD1 3.96Å; Q368-I372 WeakPolarHBondContact O-CD1 3.44Å; Q368-I372 VanDerWaalsContact O-CG1 3.23Å; Q368-I372 WeakPolarHBondContact O-CG1 3.23Å; Q368-I372 PolarHBondContact O-N 3.47Å; Q368-I419 PolarHBondContact NE2-O 2.66Å; Q368-I419 VanDerWaalsContact NE2-O 3.14Å; Q368-F420 PolarHBondContact NE2-O 2.96Å
369	F	98.4	Very high	98.2	Very high	26 Å²	26	36.4 Å²	36.4	11%	0.114	19%	0.186	C	C	.	.	H	α-helix	trans	-56.5	-50.8	174.8	176	-89.2	0	0	0	112.2	Q363 D365 Q366 K371 I372 I373 A392 S397 L398 I400	Q363-F369 HydrophobicContact CG-CD2 4.48Å; D365-F369 WeakPolarHBondContact O-CB 3.44Å; D365-F369 PolarHBondContact O-N 2.91Å; Q366-F369 PolarHBondContact O-N 3.31Å; F369-K371 PolarHBondContact O-N 2.94Å; F369-I372 PolarHBondContact O-N 3.32Å; F369-I373 HydrophobicContact CD1-CG1 4.2Å; F369-I373 HydrophobicContact CE1-CG1 3.87Å; F369-I373 HydrophobicContact CE2-CG1 4.39Å; F369-I373 HydrophobicContact CZ-CD1 4.35Å; F369-I373 HydrophobicContact CZ-CG1 3.99Å; F369-I373 WeakPolarHBondContact O-CG1 3.43Å; F369-I373 PolarHBondContact O-N 3.03Å; F369-A392 HydrophobicContact CE2-CB 3.97Å; F369-A392 HydrophobicContact CZ-CB 3.59Å; F369-S397 VanDerWaalsContact CE2-O 3.29Å; F369-S397 WeakPolarHBondContact CE2-O 3.35Å; F369-L398 HydrophobicContact CB-CD2 3.77Å; F369-L398 HydrophobicContact CD2-CB 4.48Å; F369-L398 HydrophobicContact CD2-CD2 4.27Å; F369-L398 HydrophobicContact CG-CD2 4Å; F369-I400 HydrophobicContact CD2-CD1 3.68Å; F369-I400 HydrophobicContact CD2-CG1 3.61Å; F369-I400 HydrophobicContact CE2-CD1 4.04Å; F369-I400 HydrophobicContact CE2-CG1 3.58Å; F369-I400 HydrophobicContact CG-CD1 4.38Å
370	E	98.2	Very high	98.4	Very high	112 Å²	112	36.9 Å²	36.9	52%	0.523	18%	0.182	S	C	.	.	H	α-helix	trans	-62.8	-40.6	179.8	-73.8	172.1	-175.4	0	0	112.3	Q366 Q368 I372 I373 G374	Q366-E370 HydrophobicContact CG-CG 4.46Å; Q366-E370 WeakPolarHBondContact CG-OE1 3.38Å; Q366-E370 PolarHBondContact NE2-OE1 3.26Å; Q366-E370 WeakPolarHBondContact O-CB 3.48Å; Q366-E370 WeakPolarHBondContact O-CG 3.42Å; Q366-E370 PolarHBondContact O-N 3.33Å; Q368-E370 PolarHBondContact O-N 2.83Å; E370-I372 VanDerWaalsContact C-N 3.35Å; E370-I372 PolarHBondContact O-N 3.04Å; E370-I373 PolarHBondContact O-N 3.39Å; E370-G374 PolarHBondContact O-N 3Å
371	K	98.6	Very high	98.4	Very high	91 Å²	91	45.1 Å²	45.1	40%	0.396	22%	0.218	S	C	.	.	H	α-helix	trans	-58.1	-47.1	174.1	178	-175.3	169	-169.8	0	111.3	Q367 Q368 F369 G374 L375 E418	Q367-K371 WeakPolarHBondContact O-CB 3.19Å; Q367-K371 PolarHBondContact O-N 3.3Å; Q368-K371 PolarHBondContact O-N 3.29Å; F369-K371 PolarHBondContact O-N 2.94Å; K371-G374 PolarHBondContact O-N 3.09Å; K371-L375 HydrophobicContact CG-CD1 4.36Å; K371-L375 PolarHBondContact O-N 3.22Å; K371-E418 WeakPolarHBondContact CE-O 3.34Å; K371-E418 PolarHBondContact NZ-O 3.27Å; K371-E418 VanDerWaalsContact NZ-O 3.09Å
372	I	98.7	Very high	98.5	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-64.5	-48.6	-179.1	-64.3	157.1	0	0	0	110.3	Q363 Q368 F369 E370 G374 L375 I376 I400 I419 F420 V423	Q363-I372 HydrophobicContact CB-CD1 4.38Å; Q363-I372 HydrophobicContact CG-CD1 3.69Å; Q363-I372 VanDerWaalsContact OE1-CD1 3.25Å; Q368-I372 HydrophobicContact CG-CD1 3.96Å; Q368-I372 WeakPolarHBondContact O-CD1 3.44Å; Q368-I372 VanDerWaalsContact O-CG1 3.23Å; Q368-I372 WeakPolarHBondContact O-CG1 3.23Å; Q368-I372 PolarHBondContact O-N 3.47Å; F369-I372 PolarHBondContact O-N 3.32Å; E370-I372 VanDerWaalsContact C-N 3.35Å; E370-I372 PolarHBondContact O-N 3.04Å; I372-G374 VanDerWaalsContact C-N 3.31Å; I372-G374 PolarHBondContact O-N 2.96Å; I372-L375 PolarHBondContact O-N 3.48Å; I372-L375 VanDerWaalsContact O-N 3.14Å; I372-I376 HydrophobicContact CG2-CD1 3.89Å; I372-I376 HydrophobicContact CG2-CG1 4.41Å; I372-I376 WeakPolarHBondContact O-CG1 3.45Å; I372-I376 PolarHBondContact O-N 3.04Å; I372-I400 HydrophobicContact CB-CD1 3.7Å; I372-I400 HydrophobicContact CD1-CD1 3.96Å; I372-I400 HydrophobicContact CG1-CD1 4.48Å; I372-I400 HydrophobicContact CG2-CD1 3.5Å; I372-I400 HydrophobicContact CG2-CG2 4.46Å; I372-I419 HydrophobicContact CG1-CG2 4.34Å; I372-I419 HydrophobicContact CG2-CG2 4.14Å; I372-F420 WeakPolarHBondContact CD1-O 3.2Å; I372-V423 HydrophobicContact CG2-CG2 4.22Å
373	I	98.3	Very high	98.5	Very high	40 Å²	40	51.2 Å²	51.2	21%	0.205	26%	0.261	C	S	.	.	H	α-helix	trans	-59.1	-43.9	177.7	-65.8	-62.3	0	0	0	110.6	F369 E370 L375 I376 E377 I400	F369-I373 HydrophobicContact CD1-CG1 4.2Å; F369-I373 HydrophobicContact CE1-CG1 3.87Å; F369-I373 HydrophobicContact CE2-CG1 4.39Å; F369-I373 HydrophobicContact CZ-CD1 4.35Å; F369-I373 HydrophobicContact CZ-CG1 3.99Å; F369-I373 WeakPolarHBondContact O-CG1 3.43Å; F369-I373 PolarHBondContact O-N 3.03Å; E370-I373 PolarHBondContact O-N 3.39Å; I373-L375 VanDerWaalsContact C-N 3.3Å; I373-L375 PolarHBondContact O-N 3.48Å; I373-I376 HydrophobicContact CD1-CD1 4.42Å; I373-I376 WeakPolarHBondContact O-CB 3.41Å; I373-I376 PolarHBondContact O-N 2.85Å; I373-E377 WeakPolarHBondContact O-CG 3.37Å; I373-E377 PolarHBondContact O-N 3.21Å; I373-I400 HydrophobicContact CD1-CD1 4.08Å; I373-I400 HydrophobicContact CD1-CG1 4.28Å; I373-I400 HydrophobicContact CG1-CD1 4.23Å
374	G	98.6	Very high	98.5	Very high	36 Å²	36	51.6 Å²	51.6	37%	0.371	26%	0.264	S	S	.	.	H	α-helix	trans	-59	-38.2	176	0	0	0	0	0	113.4	E370 K371 I372 S378	E370-G374 PolarHBondContact O-N 3Å; K371-G374 PolarHBondContact O-N 3.09Å; I372-G374 VanDerWaalsContact C-N 3.31Å; I372-G374 PolarHBondContact O-N 2.96Å; G374-S378 PolarHBondContact O-N 3.44Å
375	L	98.8	Very high	98.5	Very high	3 Å²	3	55.4 Å²	55.4	2%	0.016	28%	0.28	C	S	.	.	H	α-helix	trans	-72.9	-38	175.4	-79.4	167.3	0	0	0	112.5	K371 I372 I373 E377 S378 G379 R413 I414 E417 I419	K371-L375 HydrophobicContact CG-CD1 4.36Å; K371-L375 PolarHBondContact O-N 3.22Å; I372-L375 PolarHBondContact O-N 3.48Å; I372-L375 VanDerWaalsContact O-N 3.14Å; I373-L375 VanDerWaalsContact C-N 3.3Å; I373-L375 PolarHBondContact O-N 3.48Å; L375-E377 VanDerWaalsContact C-N 3.33Å; L375-E377 PolarHBondContact O-N 3Å; L375-S378 WeakPolarHBondContact CA-OG 3.31Å; L375-S378 PolarHBondContact O-N 3.23Å; L375-S378 PolarHBondContact O-OG 2.83Å; L375-G379 PolarHBondContact O-N 3.5Å; L375-R413 HydrophobicContact CD2-CB 4.29Å; L375-I414 HydrophobicContact CB-CG2 4.49Å; L375-I414 WeakPolarHBondContact O-CG2 3.29Å; L375-E417 HydrophobicContact CD2-CB 4.21Å; L375-I419 HydrophobicContact CB-CG1 4.49Å; L375-I419 HydrophobicContact CB-CG2 4.35Å; L375-I419 HydrophobicContact CD1-CB 4.17Å; L375-I419 HydrophobicContact CD1-CG1 3.99Å; L375-I419 HydrophobicContact CD1-CG2 4.19Å
376	I	98.8	Very high	98.5	Very high	1 Å²	1	56.9 Å²	56.9	1%	0.005	29%	0.288	C	S	.	.	H	α-helix	trans	-58.3	-47.1	171.8	-71.2	169.8	0	0	0	110.3	I372 I373 S378 G379 K380 I400 T403 F405 V423	I372-I376 HydrophobicContact CG2-CD1 3.89Å; I372-I376 HydrophobicContact CG2-CG1 4.41Å; I372-I376 WeakPolarHBondContact O-CG1 3.45Å; I372-I376 PolarHBondContact O-N 3.04Å; I373-I376 HydrophobicContact CD1-CD1 4.42Å; I373-I376 WeakPolarHBondContact O-CB 3.41Å; I373-I376 PolarHBondContact O-N 2.85Å; I376-S378 VanDerWaalsContact C-N 3.31Å; I376-S378 PolarHBondContact O-N 3.15Å; I376-G379 PolarHBondContact O-N 2.89Å; I376-K380 PolarHBondContact O-N 2.9Å; I376-I400 HydrophobicContact CD1-CG2 3.99Å; I376-T403 HydrophobicContact CD1-CG2 4.49Å; I376-T403 HydrophobicContact CG1-CG2 4.38Å; I376-F405 HydrophobicContact CG2-CE2 4.38Å; I376-F405 HydrophobicContact CG2-CZ 4.29Å; I376-F405 WeakPolarHBondContact O-CZ 3.31Å; I376-V423 HydrophobicContact CD1-CG2 3.9Å; I376-V423 HydrophobicContact CG1-CG2 3.71Å
377	E	98.7	Very high	98.6	Very high	70 Å²	70	54.3 Å²	54.3	33%	0.327	28%	0.276	S	S	.	.	H	α-helix	trans	-63.7	-35.7	176.5	-68.4	-51.6	126.2	0	0	112.5	I373 L375 G379 K380 K381	I373-E377 WeakPolarHBondContact O-CG 3.37Å; I373-E377 PolarHBondContact O-N 3.21Å; L375-E377 VanDerWaalsContact C-N 3.33Å; L375-E377 PolarHBondContact O-N 3Å; E377-G379 VanDerWaalsContact C-N 3.34Å; E377-G379 PolarHBondContact O-N 3.18Å; E377-K380 PolarHBondContact O-N 3.27Å; E377-K380 WeakPolarHBondContact OE1-CE 3.2Å; E377-K380 IonicContact OE1-NZ 3.35Å; E377-K380 PolarHBondContact OE1-NZ 2.77Å; E377-K380 IonicContact OE2-NZ 3.49Å; E377-K381 WeakPolarHBondContact O-CG 3.49Å; E377-K381 PolarHBondContact O-N 2.83Å
378	S	98.8	Very high	98.6	Very high	8 Å²	8	50 Å²	50	6%	0.056	25%	0.253	C	S	.	.	H	α-helix	trans	-62.3	-41.2	173.4	77.6	0	0	0	0	112.1	G374 L375 I376 K380 K381 E382	G374-S378 PolarHBondContact O-N 3.44Å; L375-S378 WeakPolarHBondContact CA-OG 3.31Å; L375-S378 PolarHBondContact O-N 3.23Å; L375-S378 PolarHBondContact O-OG 2.83Å; I376-S378 VanDerWaalsContact C-N 3.31Å; I376-S378 PolarHBondContact O-N 3.15Å; S378-K380 PolarHBondContact O-N 3.18Å; S378-K381 PolarHBondContact O-N 3.07Å; S378-E382 WeakPolarHBondContact O-CB 3.44Å; S378-E382 VanDerWaalsContact O-CG 3.3Å; S378-E382 WeakPolarHBondContact O-CG 3.34Å; S378-E382 PolarHBondContact O-N 2.89Å
379	G	98.7	Very high	98.6	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-58.6	-45.6	176.3	0	0	0	0	0	112.5	L375 I376 E377 G383 A384	L375-G379 PolarHBondContact O-N 3.5Å; I376-G379 PolarHBondContact O-N 2.89Å; E377-G379 VanDerWaalsContact C-N 3.34Å; E377-G379 PolarHBondContact O-N 3.18Å; G379-G383 PolarHBondContact O-N 2.77Å; G379-A384 WeakPolarHBondContact O-CB 3.38Å; G379-A384 PolarHBondContact O-N 2.82Å
380	K	98.6	Very high	98.4	Very high	74 Å²	74	49.6 Å²	49.6	32%	0.322	26%	0.262	S	S	.	.	H	α-helix	trans	-60.8	-46.7	175.4	-61.2	174.6	-168.1	171.6	0	111.5	I376 E377 S378 G383 G390 F405	I376-K380 PolarHBondContact O-N 2.9Å; E377-K380 PolarHBondContact O-N 3.27Å; E377-K380 WeakPolarHBondContact OE1-CE 3.2Å; E377-K380 IonicContact OE1-NZ 3.35Å; E377-K380 PolarHBondContact OE1-NZ 2.77Å; E377-K380 IonicContact OE2-NZ 3.49Å; S378-K380 PolarHBondContact O-N 3.18Å; K380-G383 PolarHBondContact O-N 2.76Å; K380-G390 PolarHBondContact NZ-O 2.82Å; K380-F405 HydrophobicContact CG-CE1 4.05Å; K380-F405 HydrophobicContact CG-CZ 3.99Å
381	K	98.6	Very high	98.3	Very high	176 Å²	176	45.4 Å²	45.4	77%	0.765	25%	0.249	S	C	*	.	H	α-helix	trans	-68.3	-33.5	-177.6	-72.8	175.4	-177	178	0	113.5	E377 S378 G383	E377-K381 WeakPolarHBondContact O-CG 3.49Å; E377-K381 PolarHBondContact O-N 2.83Å; S378-K381 PolarHBondContact O-N 3.07Å; K381-G383 VanDerWaalsContact C-N 3.26Å; K381-G383 PolarHBondContact O-N 2.82Å
382	E	98.6	Very high	98.1	Very high	75 Å²	75	43 Å²	43	35%	0.35	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	0.6	-178.5	-68.4	173.3	-169.2	0	0	113.3	S378 M412 R413	S378-E382 WeakPolarHBondContact O-CB 3.44Å; S378-E382 VanDerWaalsContact O-CG 3.3Å; S378-E382 WeakPolarHBondContact O-CG 3.34Å; S378-E382 PolarHBondContact O-N 2.89Å; E382-M412 HydrophobicContact CB-CG 4.12Å; E382-M412 WeakPolarHBondContact O-CE 3.38Å; E382-M412 WeakPolarHBondContact OE2-CA 3.34Å; E382-M412 VanDerWaalsContact OE2-CB 3.27Å; E382-M412 WeakPolarHBondContact OE2-CB 3.31Å; E382-R413 VanDerWaalsContact OE1-CD 3.24Å; E382-R413 WeakPolarHBondContact OE1-CD 3.2Å; E382-R413 WeakPolarHBondContact OE1-CG 3.12Å; E382-R413 PolarHBondContact OE2-N 2.97Å
383	G	98.3	Very high	97.8	Very high	53 Å²	53	45 Å²	45	55%	0.546	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.6	15.1	172.2	0	0	0	0	0	115.1	G379 K380 K381	G379-G383 PolarHBondContact O-N 2.77Å; K380-G383 PolarHBondContact O-N 2.76Å; K381-G383 VanDerWaalsContact C-N 3.26Å; K381-G383 PolarHBondContact O-N 2.82Å
384	A	98.7	Very high	97.3	Very high	7 Å²	7	45.7 Å²	45.7	6%	0.058	28%	0.275	C	S	.	.			trans	-70.2	141.1	166.6	0	0	0	0	0	109.6	G379 L386 F405 V408 M412 I414	G379-A384 WeakPolarHBondContact O-CB 3.38Å; G379-A384 PolarHBondContact O-N 2.82Å; A384-L386 PolarHBondContact O-N 2.95Å; A384-F405 HydrophobicContact CB-CB 4.23Å; A384-F405 HydrophobicContact CB-CD1 3.59Å; A384-F405 HydrophobicContact CB-CE1 4.26Å; A384-F405 HydrophobicContact CB-CG 4.16Å; A384-V408 HydrophobicContact CB-CG2 4.24Å; A384-M412 HydrophobicContact CB-CE 4.11Å; A384-M412 HydrophobicContact CB-SD 3.85Å; A384-I414 HydrophobicContact CB-CD1 3.8Å
385	K	98.8	Very high	95.9	Very high	90 Å²	90	53.5 Å²	53.5	39%	0.391	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	115.6	179.6	-178.6	177.6	172.3	-138.3	0	109.7	E387 F405 S406 E407	K385-E387 VanDerWaalsContact CD-OE1 3.31Å; K385-E387 WeakPolarHBondContact CD-OE1 3.41Å; K385-E387 VanDerWaalsContact CE-OE1 3.25Å; K385-E387 WeakPolarHBondContact CE-OE1 3.38Å; K385-E387 IonicContact NZ-OE1 2.82Å; K385-E387 PolarHBondContact NZ-OE1 3.27Å; K385-E387 IonicContact NZ-OE2 3.17Å; K385-E387 PolarHBondContact NZ-OE2 2.94Å; K385-E387 PolarHBondContact O-N 3.5Å; K385-F405 CarbonylContact O-C 3.58Å; K385-F405 VanDerWaalsContact O-CA 3.32Å; K385-F405 WeakPolarHBondContact O-CA 3.43Å; K385-S406 PolarHBondContact N-O 2.86Å; K385-S406 PolarHBondContact O-N 2.87Å; K385-E407 HydrophobicContact CB-CB 4.46Å; K385-E407 HydrophobicContact CB-CG 4.49Å; K385-E407 WeakPolarHBondContact CD-OE1 3.37Å
386	L	98.8	Very high	94.6	Very high	66 Å²	66	63.1 Å²	63.1	35%	0.346	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	113.2	173.8	179.7	72.1	0	0	0	109.6	A384 T403 F405	A384-L386 PolarHBondContact O-N 2.95Å; L386-T403 HydrophobicContact CD1-CG2 3.72Å; L386-F405 HydrophobicContact CB-CD1 4.21Å; L386-F405 HydrophobicContact CB-CE1 3.77Å; L386-F405 HydrophobicContact CB-CZ 4.47Å; L386-F405 HydrophobicContact CD1-CD1 4.34Å; L386-F405 HydrophobicContact CD1-CE1 3.83Å; L386-F405 HydrophobicContact CD1-CE2 4.2Å; L386-F405 HydrophobicContact CD1-CZ 3.75Å; L386-F405 HydrophobicContact CG-CE1 4.42Å
387	E	98.7	Very high	94.1	Very high	43 Å²	43	64.6 Å²	64.6	20%	0.201	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	-32.9	-177.3	-63.8	-68.2	-175.7	0	0	112.9	V338 I342 K385 I404 S406	V338-E387 HydrophobicContact CG1-CG 3.88Å; I342-E387 HydrophobicContact CD1-CB 3.8Å; I342-E387 HydrophobicContact CD1-CG 4.38Å; I342-E387 HydrophobicContact CG1-CB 3.95Å; K385-E387 VanDerWaalsContact CD-OE1 3.31Å; K385-E387 WeakPolarHBondContact CD-OE1 3.41Å; K385-E387 VanDerWaalsContact CE-OE1 3.25Å; K385-E387 WeakPolarHBondContact CE-OE1 3.38Å; K385-E387 IonicContact NZ-OE1 2.82Å; K385-E387 PolarHBondContact NZ-OE1 3.27Å; K385-E387 IonicContact NZ-OE2 3.17Å; K385-E387 PolarHBondContact NZ-OE2 2.94Å; K385-E387 PolarHBondContact O-N 3.5Å; E387-I404 HydrophobicContact CB-CB 4.35Å; E387-I404 HydrophobicContact CB-CG2 4.18Å; E387-I404 PolarHBondContact N-O 3.04Å; E387-S406 WeakPolarHBondContact CG-OG 3.47Å; E387-S406 WeakPolarHBondContact OE1-CB 3.32Å; E387-S406 PolarHBondContact OE1-OG 3.44Å
388	Y	98.6	Very high	94	Very high	58 Å²	58	62.3 Å²	62.3	23%	0.227	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	149.7	-177.2	-175.3	-109.1	0	0	0	111.2	I342 A345 K346 P402 T403 I404	I342-Y388 HydrophobicContact CG2-CD2 4.36Å; A345-Y388 HydrophobicContact CB-CD1 3.79Å; A345-Y388 HydrophobicContact CB-CE1 3.88Å; K346-Y388 HydrophobicContact CD-CE2 4.5Å; K346-Y388 HydrophobicContact CG-CD2 4.25Å; K346-Y388 HydrophobicContact CG-CE2 3.58Å; Y388-P402 WeakPolarHBondContact CD1-O 3.44Å; Y388-P402 HydrophobicContact CE1-CB 4.44Å; Y388-P402 WeakPolarHBondContact CE1-O 3.25Å; Y388-T403 WeakPolarHBondContact O-CA 3.48Å; Y388-I404 PolarHBondContact O-N 2.85Å; Y388-I404 VanDerWaalsContact O-N 3.08Å
389	G	97.8	Very high	94	Very high	33 Å²	33	63 Å²	63	34%	0.34	35%	0.346	S	S	.	.			trans	68.2	-126.7	177.1	0	0	0	0	0	112.9
390	G	95.6	Very high	94	Very high	6 Å²	6	63 Å²	63	6%	0.062	35%	0.346	C	S	.	.			trans	87.5	23.9	175.1	0	0	0	0	0	115	K380 T403	K380-G390 PolarHBondContact NZ-O 2.82Å; G390-T403 WeakPolarHBondContact CA-OG1 3.42Å; G390-T403 PolarHBondContact N-OG1 3.25Å
391	G	95.1	Very high	94	Very high	24 Å²	24	62.6 Å²	62.6	25%	0.247	35%	0.345	C	S	.	.	S	Bend	trans	-165.7	174.8	178.8	0	0	0	0	0	113.9	H401	G391-H401 PolarHBondContact O-N 2.65Å
392	A	95.2	Very high	93.9	Very high	39 Å²	39	54.2 Å²	54.2	32%	0.322	31%	0.309	S	S	.	.	B	Isolated β-bridge	trans	-70.8	154.1	175.7	0	0	0	0	0	112.2	F369 G394 F399	F369-A392 HydrophobicContact CE2-CB 3.97Å; F369-A392 HydrophobicContact CZ-CB 3.59Å; A392-G394 PolarHBondContact O-N 3.32Å; A392-F399 CarbonylContact C-O 3.58Å; A392-F399 WeakPolarHBondContact CA-O 3.35Å
393	V	92.9	Very high	93.9	Very high	44 Å²	44	50.7 Å²	50.7	27%	0.267	29%	0.292	S	S	.	.	S	Bend	trans	-93.5	92.7	173.2	-173	0	0	0	0	108.4	I350 S397 F399	I350-V393 HydrophobicContact CD1-CG2 3.84Å; I350-V393 HydrophobicContact CG2-CG2 4.35Å; V393-S397 WeakPolarHBondContact O-CB 3.43Å; V393-S397 PolarHBondContact O-OG 3.39Å; V393-F399 HydrophobicContact CB-CB 3.71Å; V393-F399 HydrophobicContact CG2-CB 3.93Å; V393-F399 PolarHBondContact N-O 3.34Å
394	G	86.5	Confident	94	Very high	54 Å²	54	48.1 Å²	48.1	56%	0.557	27%	0.266	S	S	*	.	S	Bend	trans	82.8	170.2	-175.7	0	0	0	0	0	114	A392	A392-G394 PolarHBondContact O-N 3.32Å
395	E	70.1	Confident	94	Very high	199 Å²	199	47.8 Å²	47.8	93%	0.93	26%	0.263	S	S	*	.	S	Bend	trans	-81.2	-27.1	-166.8	-66.5	-174.3	165.3	0	0	115.4
396	K	71.4	Confident	94	Very high	206 Å²	206	43.6 Å²	43.6	90%	0.896	25%	0.245	S	C	*	.	S	Bend	trans	-131.7	61.5	-176.4	-66.4	-174.9	-177.9	179.4	0	110.8
397	S	88	Confident	93.9	Very high	31 Å²	31	44.8 Å²	44.8	22%	0.217	25%	0.249	C	C	.	.			trans	-143.1	153.6	-176.4	98.9	0	0	0	0	110.5	F369 V393 F399	F369-S397 VanDerWaalsContact CE2-O 3.29Å; F369-S397 WeakPolarHBondContact CE2-O 3.35Å; V393-S397 WeakPolarHBondContact O-CB 3.43Å; V393-S397 PolarHBondContact O-OG 3.39Å; S397-F399 PolarHBondContact OG-N 3.21Å; S397-F399 VanDerWaalsContact OG-N 3.13Å
398	L	97.4	Very high	93.9	Very high	23 Å²	23	42.9 Å²	42.9	12%	0.12	24%	0.24	C	C	.	.	S	Bend	trans	-90.5	13.9	170.4	-61.8	-179.6	0	0	0	111.7	P54 P362 Q363 Q366 F369	P54-L398 HydrophobicContact CB-CD1 4.04Å; P362-L398 HydrophobicContact CB-CB 3.94Å; Q363-L398 WeakPolarHBondContact CG-O 3.48Å; Q363-L398 PolarHBondContact N-O 3.14Å; Q366-L398 HydrophobicContact CB-CD2 4.48Å; F369-L398 HydrophobicContact CB-CD2 3.77Å; F369-L398 HydrophobicContact CD2-CB 4.48Å; F369-L398 HydrophobicContact CD2-CD2 4.27Å; F369-L398 HydrophobicContact CG-CD2 4Å
399	F	98.2	Very high	93.9	Very high	22 Å²	22	45.4 Å²	45.4	10%	0.096	25%	0.252	C	S	.	.			trans	-88.5	135.6	-179.9	-66.6	-97.6	0	0	0	110.1	A55 I350 G351 G361 P362 A392 V393 S397	A55-F399 HydrophobicContact CB-CZ 4.16Å; I350-F399 HydrophobicContact CG2-CB 4.28Å; I350-F399 HydrophobicContact CG2-CD1 3.49Å; I350-F399 VanDerWaalsContact CG2-CD1 3.49Å; I350-F399 HydrophobicContact CG2-CE1 4.2Å; I350-F399 HydrophobicContact CG2-CG 4.25Å; G351-F399 VanDerWaalsContact O-CE1 3.24Å; G351-F399 WeakPolarHBondContact O-CE1 3.33Å; G361-F399 VanDerWaalsContact C-CD1 3.48Å; G361-F399 VanDerWaalsContact C-CE1 3.46Å; P362-F399 HydrophobicContact CB-CD1 4.09Å; P362-F399 HydrophobicContact CB-CD2 3.95Å; P362-F399 HydrophobicContact CB-CE1 4.01Å; P362-F399 HydrophobicContact CB-CE2 3.86Å; P362-F399 HydrophobicContact CB-CG 4.09Å; P362-F399 HydrophobicContact CB-CZ 3.9Å; P362-F399 VanDerWaalsContact CD-CE1 3.46Å; P362-F399 HydrophobicContact CG-CE1 4.28Å; P362-F399 HydrophobicContact CG-CE2 4.4Å; P362-F399 HydrophobicContact CG-CZ 4.07Å; P362-F399 VanDerWaalsContact N-CE1 3.31Å; A392-F399 CarbonylContact C-O 3.58Å; A392-F399 WeakPolarHBondContact CA-O 3.35Å; V393-F399 HydrophobicContact CB-CB 3.71Å; V393-F399 HydrophobicContact CG2-CB 3.93Å; V393-F399 PolarHBondContact N-O 3.34Å; S397-F399 PolarHBondContact OG-N 3.21Å; S397-F399 VanDerWaalsContact OG-N 3.13Å
400	I	98.3	Very high	94	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.25	C	C	.	.	B	Isolated β-bridge	trans	-123.3	135.7	179.2	-61.6	-179	0	0	0	108.1	Q363 F369 I372 I373 I376 P422	Q363-I400 HydrophobicContact CG-CD1 3.66Å; Q363-I400 HydrophobicContact CG-CG1 3.96Å; F369-I400 HydrophobicContact CD2-CD1 3.68Å; F369-I400 HydrophobicContact CD2-CG1 3.61Å; F369-I400 HydrophobicContact CE2-CD1 4.04Å; F369-I400 HydrophobicContact CE2-CG1 3.58Å; F369-I400 HydrophobicContact CG-CD1 4.38Å; I372-I400 HydrophobicContact CB-CD1 3.7Å; I372-I400 HydrophobicContact CD1-CD1 3.96Å; I372-I400 HydrophobicContact CG1-CD1 4.48Å; I372-I400 HydrophobicContact CG2-CD1 3.5Å; I372-I400 HydrophobicContact CG2-CG2 4.46Å; I373-I400 HydrophobicContact CD1-CD1 4.08Å; I373-I400 HydrophobicContact CD1-CG1 4.28Å; I373-I400 HydrophobicContact CG1-CD1 4.23Å; I376-I400 HydrophobicContact CD1-CG2 3.99Å; I400-P422 HydrophobicContact CB-CG 3.99Å; I400-P422 HydrophobicContact CG2-CG 3.88Å
401	H	97.5	Very high	94.1	Very high	65 Å²	65	50.2 Å²	50.2	30%	0.301	28%	0.276	S	S	.	.			trans	-63.2	136.9	173.7	-78.2	-73.6	0	0	0	110.4	G391 T403	G391-H401 PolarHBondContact O-N 2.65Å; H401-T403 PolarHBondContact O-N 2.65Å; H401-T403 VanDerWaalsContact O-N 3.1Å; H401-T403 PolarHBondContact O-OG1 3.05Å
402	P	97.9	Very high	94.2	Very high	1 Å²	1	49.6 Å²	49.6	1%	0.006	27%	0.266	C	S	.	.			trans	-48.3	123.3	163.4	-26.1	33.8	0	0	0	109.7	F314 I348 Y388	F314-P402 HydrophobicContact CD1-CB 4.32Å; F314-P402 HydrophobicContact CD2-CB 4.4Å; F314-P402 HydrophobicContact CE1-CB 4.16Å; F314-P402 HydrophobicContact CE2-CB 4.22Å; F314-P402 HydrophobicContact CG-CB 4.44Å; F314-P402 HydrophobicContact CZ-CB 4.1Å; I348-P402 HydrophobicContact CB-CG 4.1Å; I348-P402 HydrophobicContact CD1-CB 3.82Å; I348-P402 HydrophobicContact CD1-CG 3.55Å; I348-P402 HydrophobicContact CG1-CG 4.42Å; I348-P402 HydrophobicContact CG2-CG 3.89Å; Y388-P402 WeakPolarHBondContact CD1-O 3.44Å; Y388-P402 HydrophobicContact CE1-CB 4.44Å; Y388-P402 WeakPolarHBondContact CE1-O 3.25Å
403	T	98.7	Very high	94.4	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	131.6	-168.9	-62.9	0	0	0	0	109.4	I376 L386 Y388 G390 H401 F405 P422 V423 L424	I376-T403 HydrophobicContact CD1-CG2 4.49Å; I376-T403 HydrophobicContact CG1-CG2 4.38Å; L386-T403 HydrophobicContact CD1-CG2 3.72Å; Y388-T403 WeakPolarHBondContact O-CA 3.48Å; G390-T403 WeakPolarHBondContact CA-OG1 3.42Å; G390-T403 PolarHBondContact N-OG1 3.25Å; H401-T403 PolarHBondContact O-N 2.65Å; H401-T403 VanDerWaalsContact O-N 3.1Å; H401-T403 PolarHBondContact O-OG1 3.05Å; T403-F405 HydrophobicContact CG2-CD2 4.01Å; T403-F405 HydrophobicContact CG2-CE2 3.69Å; T403-F405 HydrophobicContact CG2-CZ 4.45Å; T403-P422 PolarHBondContact N-O 3.18Å; T403-V423 HydrophobicContact CG2-CG1 4.29Å; T403-V423 CarbonylContact O-C 3.55Å; T403-V423 WeakPolarHBondContact O-CA 3.24Å; T403-L424 PolarHBondContact O-N 3.42Å
404	I	98.9	Very high	94.7	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	124.8	178.4	-61.1	170.8	0	0	0	108.6	F314 S341 I342 A345 E387 Y388 L424 I426	F314-I404 HydrophobicContact CZ-CG1 4.13Å; S341-I404 WeakPolarHBondContact O-CD1 3.43Å; I342-I404 HydrophobicContact CG1-CD1 4.48Å; A345-I404 HydrophobicContact CB-CD1 3.76Å; E387-I404 HydrophobicContact CB-CB 4.35Å; E387-I404 HydrophobicContact CB-CG2 4.18Å; E387-I404 PolarHBondContact N-O 3.04Å; Y388-I404 PolarHBondContact O-N 2.85Å; Y388-I404 VanDerWaalsContact O-N 3.08Å; I404-L424 HydrophobicContact CG1-CB 4.28Å; I404-L424 HydrophobicContact CG1-CD2 4.47Å; I404-I426 HydrophobicContact CG2-CD1 3.67Å; I404-I426 HydrophobicContact CG2-CG1 4.38Å
405	F	98.9	Very high	95.2	Very high	0 Å²	0	48 Å²	48	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	131.4	168.2	-77.3	-77.5	0	0	0	110.2	I376 K380 A384 K385 L386 T403 V408 I414 V423 L424 I426	I376-F405 HydrophobicContact CG2-CE2 4.38Å; I376-F405 HydrophobicContact CG2-CZ 4.29Å; I376-F405 WeakPolarHBondContact O-CZ 3.31Å; K380-F405 HydrophobicContact CG-CE1 4.05Å; K380-F405 HydrophobicContact CG-CZ 3.99Å; A384-F405 HydrophobicContact CB-CB 4.23Å; A384-F405 HydrophobicContact CB-CD1 3.59Å; A384-F405 HydrophobicContact CB-CE1 4.26Å; A384-F405 HydrophobicContact CB-CG 4.16Å; K385-F405 CarbonylContact O-C 3.58Å; K385-F405 VanDerWaalsContact O-CA 3.32Å; K385-F405 WeakPolarHBondContact O-CA 3.43Å; L386-F405 HydrophobicContact CB-CD1 4.21Å; L386-F405 HydrophobicContact CB-CE1 3.77Å; L386-F405 HydrophobicContact CB-CZ 4.47Å; L386-F405 HydrophobicContact CD1-CD1 4.34Å; L386-F405 HydrophobicContact CD1-CE1 3.83Å; L386-F405 HydrophobicContact CD1-CE2 4.2Å; L386-F405 HydrophobicContact CD1-CZ 3.75Å; L386-F405 HydrophobicContact CG-CE1 4.42Å; T403-F405 HydrophobicContact CG2-CD2 4.01Å; T403-F405 HydrophobicContact CG2-CE2 3.69Å; T403-F405 HydrophobicContact CG2-CZ 4.45Å; F405-V408 HydrophobicContact CB-CG2 3.77Å; F405-I414 HydrophobicContact CB-CD1 4.05Å; F405-I414 HydrophobicContact CD1-CD1 4.42Å; F405-I414 HydrophobicContact CD2-CD1 3.95Å; F405-I414 HydrophobicContact CG-CD1 3.9Å; F405-V423 HydrophobicContact CD2-CG1 3.94Å; F405-V423 HydrophobicContact CE2-CG1 4.25Å; F405-L424 PolarHBondContact N-O 3.01Å; F405-I426 PolarHBondContact O-N 2.93Å
406	S	98.8	Very high	96.6	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.007	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	173.4	167.7	78.8	0	0	0	0	110.1	Y334 K385 E387 V408	Y334-S406 WeakPolarHBondContact OH-CB 3.46Å; K385-S406 PolarHBondContact N-O 2.86Å; K385-S406 PolarHBondContact O-N 2.87Å; E387-S406 WeakPolarHBondContact CG-OG 3.47Å; E387-S406 WeakPolarHBondContact OE1-CB 3.32Å; E387-S406 PolarHBondContact OE1-OG 3.44Å; S406-V408 PolarHBondContact O-N 3.38Å; S406-V408 VanDerWaalsContact O-N 3.11Å
407	E	98.3	Very high	97.9	Very high	92 Å²	92	37.8 Å²	37.8	43%	0.43	19%	0.185	S	C	.	.	S	Bend	trans	60	23.1	179.4	-59.9	-177.4	-145.7	0	0	113.4	Y334 K385 K409	Y334-E407 PolarHBondContact OH-N 2.91Å; K385-E407 HydrophobicContact CB-CB 4.46Å; K385-E407 HydrophobicContact CB-CG 4.49Å; K385-E407 WeakPolarHBondContact CD-OE1 3.37Å; E407-K409 WeakPolarHBondContact O-CE 3.18Å
408	V	98.8	Very high	98.3	Very high	3 Å²	3	37.7 Å²	37.7	2%	0.018	18%	0.181	C	C	.	.			trans	-66.6	138.9	-176.9	-170.4	0	0	0	0	109.9	A384 F405 S406 M412 I414 A415 C425 I426 F427	A384-V408 HydrophobicContact CB-CG2 4.24Å; F405-V408 HydrophobicContact CB-CG2 3.77Å; S406-V408 PolarHBondContact O-N 3.38Å; S406-V408 VanDerWaalsContact O-N 3.11Å; V408-M412 HydrophobicContact CB-SD 4.33Å; V408-M412 HydrophobicContact CG1-SD 3.73Å; V408-I414 HydrophobicContact CG1-CD1 4.09Å; V408-I414 HydrophobicContact CG1-CG1 4.14Å; V408-I414 HydrophobicContact CG2-CD1 4.17Å; V408-A415 HydrophobicContact CG1-CB 4.02Å; V408-C425 HydrophobicContact CB-CB 4.41Å; V408-C425 HydrophobicContact CG1-CB 4.22Å; V408-C425 HydrophobicContact CG2-CB 3.94Å; V408-I426 PolarHBondContact N-O 2.77Å; V408-F427 HydrophobicContact CB-CD1 4.03Å; V408-F427 HydrophobicContact CB-CD2 4.41Å; V408-F427 HydrophobicContact CB-CE1 3.75Å; V408-F427 HydrophobicContact CB-CE2 4.12Å; V408-F427 HydrophobicContact CB-CG 4.35Å; V408-F427 HydrophobicContact CB-CZ 3.79Å; V408-F427 HydrophobicContact CG1-CD1 4.22Å; V408-F427 HydrophobicContact CG1-CE1 3.44Å; V408-F427 VanDerWaalsContact CG1-CE1 3.44Å; V408-F427 HydrophobicContact CG1-CE2 4.04Å; V408-F427 HydrophobicContact CG1-CZ 3.32Å; V408-F427 WeakPolarHBondContact O-CD1 3.38Å
409	K	98.4	Very high	98.4	Very high	110 Å²	110	37 Å²	37	48%	0.478	18%	0.177	S	C	.	.			trans	-110.6	146.3	177.4	-51.4	-57.4	175.2	-169.5	0	110.2	E407 S411 M412 A415	E407-K409 WeakPolarHBondContact O-CE 3.18Å; K409-S411 PolarHBondContact O-N 3.36Å; K409-M412 HydrophobicContact CB-CE 4.06Å; K409-M412 HydrophobicContact CB-CG 4.28Å; K409-M412 HydrophobicContact CB-SD 4.25Å; K409-M412 HydrophobicContact CG-CE 3.79Å; K409-M412 PolarHBondContact N-SD 3.34Å; K409-M412 WeakPolarHBondContact O-CB 3.47Å; K409-M412 WeakPolarHBondContact O-CG 3.46Å; K409-M412 PolarHBondContact O-N 3.03Å; K409-A415 VanDerWaalsContact O-CB 3.3Å; K409-A415 WeakPolarHBondContact O-CB 3.49Å
410	D	98.4	Very high	98.4	Very high	54 Å²	54	37.3 Å²	37.3	29%	0.289	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-21.9	-175.7	-57.7	-6.8	0	0	0	112.9	K416 F427 R438	D410-K416 WeakPolarHBondContact O-CE 3.3Å; D410-F427 WeakPolarHBondContact OD1-CD1 3.14Å; D410-R438 IonicContact OD1-CZ 2.66Å; D410-R438 IonicContact OD1-NE 3.61Å; D410-R438 PolarHBondContact OD1-NE 3.2Å; D410-R438 IonicContact OD1-NH2 2.82Å; D410-R438 PolarHBondContact OD1-NH2 3.33Å; D410-R438 IonicContact OD2-CZ 2.83Å; D410-R438 IonicContact OD2-NE 3.65Å; D410-R438 PolarHBondContact OD2-NE 3.48Å; D410-R438 IonicContact OD2-NH2 3.72Å
411	S	97.9	Very high	98.4	Very high	87 Å²	87	37.5 Å²	37.5	61%	0.608	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-17.7	177.6	57.8	0	0	0	0	114.5	K409 K416	K409-S411 PolarHBondContact O-N 3.36Å; S411-K416 VanDerWaalsContact C-CE 3.47Å; S411-K416 WeakPolarHBondContact O-CE 3.36Å; S411-K416 PolarHBondContact O-NZ 3.31Å
412	M	98.7	Very high	98.4	Very high	10 Å²	10	34.4 Å²	34.4	5%	0.049	17%	0.167	C	C	.	.	S	Bend	trans	-71.2	152	-174.6	-66.6	169.7	174.1	0	0	112.3	E382 A384 V408 K409 I414 A415 K416	E382-M412 HydrophobicContact CB-CG 4.12Å; E382-M412 WeakPolarHBondContact O-CE 3.38Å; E382-M412 WeakPolarHBondContact OE2-CA 3.34Å; E382-M412 VanDerWaalsContact OE2-CB 3.27Å; E382-M412 WeakPolarHBondContact OE2-CB 3.31Å; A384-M412 HydrophobicContact CB-CE 4.11Å; A384-M412 HydrophobicContact CB-SD 3.85Å; V408-M412 HydrophobicContact CB-SD 4.33Å; V408-M412 HydrophobicContact CG1-SD 3.73Å; K409-M412 HydrophobicContact CB-CE 4.06Å; K409-M412 HydrophobicContact CB-CG 4.28Å; K409-M412 HydrophobicContact CB-SD 4.25Å; K409-M412 HydrophobicContact CG-CE 3.79Å; K409-M412 PolarHBondContact N-SD 3.34Å; K409-M412 WeakPolarHBondContact O-CB 3.47Å; K409-M412 WeakPolarHBondContact O-CG 3.46Å; K409-M412 PolarHBondContact O-N 3.03Å; M412-I414 HydrophobicContact CB-CG1 4.09Å; M412-A415 HydrophobicContact CB-CB 4.25Å; M412-A415 WeakPolarHBondContact O-CB 3.37Å; M412-A415 PolarHBondContact O-N 3.43Å; M412-A415 VanDerWaalsContact O-N 3.08Å; M412-K416 WeakPolarHBondContact O-CG 3.24Å; M412-K416 PolarHBondContact O-N 3.28Å
413	R	98.6	Very high	98.4	Very high	101 Å²	101	34.6 Å²	34.6	38%	0.381	17%	0.168	S	C	.	.	H	α-helix	trans	-60.6	-46.2	175.8	-73	-177.2	66.8	-147.7	-8.7	112	L375 E382 A415 K416 E417	L375-R413 HydrophobicContact CD2-CB 4.29Å; E382-R413 VanDerWaalsContact OE1-CD 3.24Å; E382-R413 WeakPolarHBondContact OE1-CD 3.2Å; E382-R413 WeakPolarHBondContact OE1-CG 3.12Å; E382-R413 PolarHBondContact OE2-N 2.97Å; R413-A415 PolarHBondContact O-N 3.03Å; R413-A415 VanDerWaalsContact O-N 3.08Å; R413-K416 PolarHBondContact O-N 2.73Å; R413-E417 WeakPolarHBondContact CG-OE1 3.35Å; R413-E417 IonicContact CZ-OE1 2.73Å; R413-E417 IonicContact CZ-OE2 3.05Å; R413-E417 IonicContact NE-OE1 3.2Å; R413-E417 PolarHBondContact NE-OE1 2.92Å; R413-E417 IonicContact NE-OE2 2.82Å; R413-E417 IonicContact NH2-OE1 3.81Å; R413-E417 PolarHBondContact NH2-OE1 3.49Å; R413-E417 IonicContact NH2-OE2 3.92Å; R413-E417 PolarHBondContact NH2-OE2 3.44Å; R413-E417 PolarHBondContact O-N 3.45Å
414	I	98.6	Very high	98.4	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-61.5	-17.8	175.9	60.2	165.8	0	0	0	113.3	K291 L375 A384 F405 V408 M412 I419 C425	K291-I414 WeakPolarHBondContact CE-O 3.43Å; K291-I414 PolarHBondContact NZ-O 3.08Å; L375-I414 HydrophobicContact CB-CG2 4.49Å; L375-I414 WeakPolarHBondContact O-CG2 3.29Å; A384-I414 HydrophobicContact CB-CD1 3.8Å; F405-I414 HydrophobicContact CB-CD1 4.05Å; F405-I414 HydrophobicContact CD1-CD1 4.42Å; F405-I414 HydrophobicContact CD2-CD1 3.95Å; F405-I414 HydrophobicContact CG-CD1 3.9Å; V408-I414 HydrophobicContact CG1-CD1 4.09Å; V408-I414 HydrophobicContact CG1-CG1 4.14Å; V408-I414 HydrophobicContact CG2-CD1 4.17Å; M412-I414 HydrophobicContact CB-CG1 4.09Å; I414-I419 HydrophobicContact CB-CD1 4.29Å; I414-I419 HydrophobicContact CG2-CD1 4.45Å; I414-C425 PolarHBondContact O-SG 2.81Å
415	A	98.3	Very high	98.4	Very high	4 Å²	4	34.6 Å²	34.6	3%	0.033	17%	0.168	C	C	.	.	H	α-helix	trans	-86.3	-23.5	174.1	0	0	0	0	0	113.4	K291 R326 V408 K409 M412 R413 F427	K291-A415 WeakPolarHBondContact CE-O 3.33Å; K291-A415 WeakPolarHBondContact CG-O 3.45Å; R326-A415 WeakPolarHBondContact CD-O 3.45Å; V408-A415 HydrophobicContact CG1-CB 4.02Å; K409-A415 VanDerWaalsContact O-CB 3.3Å; K409-A415 WeakPolarHBondContact O-CB 3.49Å; M412-A415 HydrophobicContact CB-CB 4.25Å; M412-A415 WeakPolarHBondContact O-CB 3.37Å; M412-A415 PolarHBondContact O-N 3.43Å; M412-A415 VanDerWaalsContact O-N 3.08Å; R413-A415 PolarHBondContact O-N 3.03Å; R413-A415 VanDerWaalsContact O-N 3.08Å; A415-F427 HydrophobicContact CB-CE1 3.78Å; A415-F427 HydrophobicContact CB-CZ 3.56Å
416	K	98.3	Very high	98.4	Very high	116 Å²	116	34.6 Å²	34.6	50%	0.504	17%	0.168	S	C	.	.	H	α-helix	trans	-109	-41.3	-172.1	-64.1	171	-175.7	167.8	0	113.6	D410 S411 M412 R413	D410-K416 WeakPolarHBondContact O-CE 3.3Å; S411-K416 VanDerWaalsContact C-CE 3.47Å; S411-K416 WeakPolarHBondContact O-CE 3.36Å; S411-K416 PolarHBondContact O-NZ 3.31Å; M412-K416 WeakPolarHBondContact O-CG 3.24Å; M412-K416 PolarHBondContact O-N 3.28Å; R413-K416 PolarHBondContact O-N 2.73Å
417	E	98.4	Very high	98.4	Very high	73 Å²	73	34.6 Å²	34.6	34%	0.341	17%	0.168	S	C	.	.	S	Bend	trans	-84.6	142	-174.2	-67.6	173.7	-132	0	0	111	K291 L375 R413 I419	K291-E417 WeakPolarHBondContact CD-O 3.39Å; K291-E417 PolarHBondContact NZ-O 3.21Å; L375-E417 HydrophobicContact CD2-CB 4.21Å; R413-E417 WeakPolarHBondContact CG-OE1 3.35Å; R413-E417 IonicContact CZ-OE1 2.73Å; R413-E417 IonicContact CZ-OE2 3.05Å; R413-E417 IonicContact NE-OE1 3.2Å; R413-E417 PolarHBondContact NE-OE1 2.92Å; R413-E417 IonicContact NE-OE2 2.82Å; R413-E417 IonicContact NH2-OE1 3.81Å; R413-E417 PolarHBondContact NH2-OE1 3.49Å; R413-E417 IonicContact NH2-OE2 3.92Å; R413-E417 PolarHBondContact NH2-OE2 3.44Å; R413-E417 PolarHBondContact O-N 3.45Å; E417-I419 PolarHBondContact O-N 3.25Å
418	E	98	Very high	98.4	Very high	30 Å²	30	32.7 Å²	32.7	14%	0.14	16%	0.164	C	C	.	.			trans	-72.9	112.5	170.9	-176.8	177.4	-129.9	0	0	109.4	G289 G290 K371 F420	G289-E418 WeakPolarHBondContact CA-OE1 3.48Å; G289-E418 WeakPolarHBondContact CA-OE2 3.27Å; G290-E418 PolarHBondContact N-OE1 3.49Å; K371-E418 WeakPolarHBondContact CE-O 3.34Å; K371-E418 PolarHBondContact NZ-O 3.27Å; K371-E418 VanDerWaalsContact NZ-O 3.09Å; E418-F420 HydrophobicContact CG-CB 4.35Å; E418-F420 HydrophobicContact CG-CD2 4.16Å
419	I	98.4	Very high	98.4	Very high	7 Å²	7	32.6 Å²	32.6	4%	0.036	16%	0.164	C	C	.	.			trans	-77.5	-46.2	-176.1	-55.3	169.8	0	0	0	110.1	Q368 I372 L375 I414 E417 G421 V423	Q368-I419 PolarHBondContact NE2-O 2.66Å; Q368-I419 VanDerWaalsContact NE2-O 3.14Å; I372-I419 HydrophobicContact CG1-CG2 4.34Å; I372-I419 HydrophobicContact CG2-CG2 4.14Å; L375-I419 HydrophobicContact CB-CG1 4.49Å; L375-I419 HydrophobicContact CB-CG2 4.35Å; L375-I419 HydrophobicContact CD1-CB 4.17Å; L375-I419 HydrophobicContact CD1-CG1 3.99Å; L375-I419 HydrophobicContact CD1-CG2 4.19Å; I414-I419 HydrophobicContact CB-CD1 4.29Å; I414-I419 HydrophobicContact CG2-CD1 4.45Å; E417-I419 PolarHBondContact O-N 3.25Å; I419-G421 VanDerWaalsContact C-N 3.33Å; I419-V423 HydrophobicContact CD1-CB 3.77Å; I419-V423 HydrophobicContact CD1-CG1 3.76Å; I419-V423 HydrophobicContact CD1-CG2 4.48Å; I419-V423 HydrophobicContact CG2-CB 4.16Å; I419-V423 HydrophobicContact CG2-CG2 3.86Å
420	F	98.2	Very high	98.4	Very high	29 Å²	29	34.4 Å²	34.4	13%	0.127	17%	0.172	C	C	.	.			trans	59	43.6	-179.3	-142.3	-110.7	0	0	0	112.8	W180 N181 G318 Q319 C320 Q368 I372 E418	W180-F420 AromaticContact CH2-CD1 3.45Å; W180-F420 HydrophobicContact CH2-CD1 3.45Å; W180-F420 VanDerWaalsContact CH2-CD1 3.45Å; W180-F420 AromaticContact CH2-CE1 3.28Å; W180-F420 HydrophobicContact CH2-CE1 3.28Å; W180-F420 AromaticContact CZ2-CD1 3.81Å; W180-F420 HydrophobicContact CZ2-CD1 3.81Å; W180-F420 AromaticContact CZ2-CE1 3.6Å; W180-F420 HydrophobicContact CZ2-CE1 3.6Å; W180-F420 HydrophobicContact CZ3-CD1 4.41Å; W180-F420 AromaticContact CZ3-CE1 3.92Å; W180-F420 HydrophobicContact CZ3-CE1 3.92Å; N181-F420 HydrophobicContact CB-CE1 4.05Å; N181-F420 HydrophobicContact CB-CZ 4.07Å; N181-F420 WeakPolarHBondContact ND2-CZ 3.38Å; G318-F420 CarbonylContact O-C 3.58Å; Q319-F420 HydrophobicContact CB-CD1 3.86Å; Q319-F420 HydrophobicContact CB-CE1 3.76Å; Q319-F420 HydrophobicContact CB-CZ 4.44Å; Q319-F420 HydrophobicContact CG-CD1 4.28Å; C320-F420 VanDerWaalsContact C-CE2 3.44Å; Q368-F420 PolarHBondContact NE2-O 2.96Å; I372-F420 WeakPolarHBondContact CD1-O 3.2Å; E418-F420 HydrophobicContact CG-CB 4.35Å; E418-F420 HydrophobicContact CG-CD2 4.16Å
421	G	98.2	Very high	98.4	Very high	5 Å²	5	34.4 Å²	34.4	5%	0.052	18%	0.176	C	C	.	.	S	Bend	trans	-155.9	179.8	177.5	0	0	0	0	0	109.2	Q317 G318 I419 V423	Q317-G421 CarbonylContact O-C 3.42Å; G318-G421 PolarHBondContact O-N 3.21Å; I419-G421 VanDerWaalsContact C-N 3.33Å; G421-V423 PolarHBondContact O-N 3.1Å
422	P	97.9	Very high	98.4	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.165	C	C	.	.	S	Bend	trans	-83.1	64.1	-165.8	35.9	-38	0	0	0	111.8	F314 Q317 I400 T403	F314-P422 HydrophobicContact CD1-CB 3.89Å; F314-P422 HydrophobicContact CE1-CB 4.45Å; F314-P422 WeakPolarHBondContact CE1-O 3.43Å; Q317-P422 VanDerWaalsContact O-CD 3.29Å; Q317-P422 WeakPolarHBondContact O-CD 3.35Å; I400-P422 HydrophobicContact CB-CG 3.99Å; I400-P422 HydrophobicContact CG2-CG 3.88Å; T403-P422 PolarHBondContact N-O 3.18Å
423	V	98.6	Very high	98.4	Very high	5 Å²	5	39.2 Å²	39.2	3%	0.03	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	118.7	-175.4	-173.3	0	0	0	0	110.8	I372 I376 T403 F405 I419 G421	I372-V423 HydrophobicContact CG2-CG2 4.22Å; I376-V423 HydrophobicContact CD1-CG2 3.9Å; I376-V423 HydrophobicContact CG1-CG2 3.71Å; T403-V423 HydrophobicContact CG2-CG1 4.29Å; T403-V423 CarbonylContact O-C 3.55Å; T403-V423 WeakPolarHBondContact O-CA 3.24Å; F405-V423 HydrophobicContact CD2-CG1 3.94Å; F405-V423 HydrophobicContact CE2-CG1 4.25Å; I419-V423 HydrophobicContact CD1-CB 3.77Å; I419-V423 HydrophobicContact CD1-CG1 3.76Å; I419-V423 HydrophobicContact CD1-CG2 4.48Å; I419-V423 HydrophobicContact CG2-CB 4.16Å; I419-V423 HydrophobicContact CG2-CG2 3.86Å; G421-V423 PolarHBondContact O-N 3.1Å
424	L	98.6	Very high	98.4	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	123.4	177.5	-172.3	62.5	0	0	0	110.6	I309 Q310 A313 F314 A324 V327 T403 I404 F405 I426	I309-L424 HydrophobicContact CG2-CD1 4.17Å; Q310-L424 HydrophobicContact CG-CD2 4.25Å; A313-L424 HydrophobicContact CB-CB 4.46Å; A313-L424 HydrophobicContact CB-CD1 3.64Å; F314-L424 HydrophobicContact CE1-CB 4.1Å; F314-L424 HydrophobicContact CZ-CB 3.87Å; A324-L424 VanDerWaalsContact O-CD1 3.29Å; A324-L424 WeakPolarHBondContact O-CD1 3.18Å; V327-L424 HydrophobicContact CG2-CD1 3.37Å; V327-L424 HydrophobicContact CG2-CG 4.18Å; T403-L424 PolarHBondContact O-N 3.42Å; I404-L424 HydrophobicContact CG1-CB 4.28Å; I404-L424 HydrophobicContact CG1-CD2 4.47Å; F405-L424 PolarHBondContact N-O 3.01Å; L424-I426 HydrophobicContact CD2-CD1 4.39Å; L424-I426 HydrophobicContact CD2-CG1 4.42Å; L424-I426 HydrophobicContact CG-CG1 4.27Å
425	C	98.8	Very high	98.4	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	121.1	176.9	-59.3	0	0	0	0	110.5	S325 V327 V408 I414 F427	S325-C425 WeakPolarHBondContact O-CB 3.5Å; V327-C425 PolarHBondContact N-O 3.41Å; V408-C425 HydrophobicContact CB-CB 4.41Å; V408-C425 HydrophobicContact CG1-CB 4.22Å; V408-C425 HydrophobicContact CG2-CB 3.94Å; I414-C425 PolarHBondContact O-SG 2.81Å; C425-F427 HydrophobicContact CB-CE2 3.67Å; C425-F427 HydrophobicContact CB-CZ 4.19Å; C425-F427 WeakPolarHBondContact O-CD2 3.41Å; C425-F427 WeakPolarHBondContact O-CE2 3.17Å
426	I	98.9	Very high	98.4	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	128.5	-176.7	-50.7	174.3	0	0	0	109.9	V327 V329 Y334 F337 V338 I404 F405 V408 L424	V327-I426 CarbonylContact O-C 3.45Å; V327-I426 WeakPolarHBondContact O-CA 3.02Å; V329-I426 HydrophobicContact CG2-CG2 3.84Å; Y334-I426 HydrophobicContact CD2-CG2 4.34Å; Y334-I426 HydrophobicContact CE2-CG2 3.8Å; F337-I426 HydrophobicContact CD1-CD1 4.11Å; F337-I426 HydrophobicContact CD1-CG2 4.22Å; F337-I426 HydrophobicContact CE1-CD1 4Å; F337-I426 HydrophobicContact CE1-CG1 4.4Å; F337-I426 HydrophobicContact CE1-CG2 4.44Å; V338-I426 HydrophobicContact CG2-CD1 4.03Å; V338-I426 HydrophobicContact CG2-CG2 4.09Å; I404-I426 HydrophobicContact CG2-CD1 3.67Å; I404-I426 HydrophobicContact CG2-CG1 4.38Å; F405-I426 PolarHBondContact O-N 2.93Å; V408-I426 PolarHBondContact N-O 2.77Å; L424-I426 HydrophobicContact CD2-CD1 4.39Å; L424-I426 HydrophobicContact CD2-CG1 4.42Å; L424-I426 HydrophobicContact CG-CG1 4.27Å
427	F	98.8	Very high	98.4	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	145.7	-177.8	-57.1	-106.1	0	0	0	108.6	R326 V327 F328 V329 V408 D410 A415 C425	R326-F427 HydrophobicContact CB-CD2 4.32Å; R326-F427 HydrophobicContact CB-CE2 3.8Å; R326-F427 HydrophobicContact CB-CZ 4.47Å; R326-F427 HydrophobicContact CG-CE2 3.85Å; R326-F427 HydrophobicContact CG-CZ 4.08Å; V327-F427 PolarHBondContact O-N 2.95Å; F328-F427 WeakPolarHBondContact CA-O 3Å; F328-F427 HydrophobicContact CD1-CB 3.64Å; F328-F427 HydrophobicContact CD1-CG 4.12Å; F328-F427 HydrophobicContact CE1-CB 3.94Å; F328-F427 HydrophobicContact CE1-CD1 4.19Å; F328-F427 HydrophobicContact CE1-CD2 4.42Å; F328-F427 AromaticContact CE1-CG 3.95Å; F328-F427 HydrophobicContact CE1-CG 3.95Å; F328-F427 HydrophobicContact CG-CB 4.36Å; V329-F427 PolarHBondContact N-O 2.62Å; V408-F427 HydrophobicContact CB-CD1 4.03Å; V408-F427 HydrophobicContact CB-CD2 4.41Å; V408-F427 HydrophobicContact CB-CE1 3.75Å; V408-F427 HydrophobicContact CB-CE2 4.12Å; V408-F427 HydrophobicContact CB-CG 4.35Å; V408-F427 HydrophobicContact CB-CZ 3.79Å; V408-F427 HydrophobicContact CG1-CD1 4.22Å; V408-F427 HydrophobicContact CG1-CE1 3.44Å; V408-F427 VanDerWaalsContact CG1-CE1 3.44Å; V408-F427 HydrophobicContact CG1-CE2 4.04Å; V408-F427 HydrophobicContact CG1-CZ 3.32Å; V408-F427 WeakPolarHBondContact O-CD1 3.38Å; D410-F427 WeakPolarHBondContact OD1-CD1 3.14Å; A415-F427 HydrophobicContact CB-CE1 3.78Å; A415-F427 HydrophobicContact CB-CZ 3.56Å; C425-F427 HydrophobicContact CB-CE2 3.67Å; C425-F427 HydrophobicContact CB-CZ 4.19Å; C425-F427 WeakPolarHBondContact O-CD2 3.41Å; C425-F427 WeakPolarHBondContact O-CE2 3.17Å
428	S	98.6	Very high	98.5	Very high	52 Å²	52	36 Å²	36	36%	0.364	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	150.9	167.4	60.7	0	0	0	0	110.9	V329 R438	V329-S428 WeakPolarHBondContact O-CA 3.41Å; S428-R438 PolarHBondContact O-NH1 3.22Å
429	F	98.8	Very high	98.5	Very high	2 Å²	2	34.8 Å²	34.8	1%	0.009	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	161	167.7	76.9	-88.5	0	0	0	110.6	I295 V296 F297 F328 V329 Q330 D331 S431 V435	I295-F429 HydrophobicContact CG2-CE1 4.12Å; I295-F429 HydrophobicContact CG2-CZ 4.01Å; V296-F429 WeakPolarHBondContact O-CE1 3.33Å; F297-F429 HydrophobicContact CD1-CE2 4.02Å; F297-F429 AromaticContact CD1-CZ 3.77Å; F297-F429 HydrophobicContact CD1-CZ 3.77Å; F297-F429 AromaticContact CE1-CE2 3.65Å; F297-F429 HydrophobicContact CE1-CE2 3.65Å; F297-F429 AromaticContact CE1-CZ 3.71Å; F297-F429 HydrophobicContact CE1-CZ 3.71Å; F297-F429 HydrophobicContact CG-CZ 4.36Å; F297-F429 HydrophobicContact CZ-CE2 4.36Å; F297-F429 HydrophobicContact CZ-CZ 4.25Å; F328-F429 HydrophobicContact CB-CD1 3.76Å; F328-F429 HydrophobicContact CB-CE1 4.2Å; F328-F429 WeakPolarHBondContact O-CE1 3.27Å; V329-F429 WeakPolarHBondContact O-CD1 3.47Å; V329-F429 PolarHBondContact O-N 3.05Å; Q330-F429 WeakPolarHBondContact CA-O 3.2Å; Q330-F429 HydrophobicContact CB-CE1 3.92Å; Q330-F429 HydrophobicContact CB-CE2 4.07Å; Q330-F429 HydrophobicContact CB-CZ 3.64Å; Q330-F429 HydrophobicContact CG-CE2 4.08Å; Q330-F429 HydrophobicContact CG-CZ 4.17Å; D331-F429 PolarHBondContact N-O 2.97Å; F429-S431 WeakPolarHBondContact CD2-O 3.29Å; F429-V435 HydrophobicContact CB-CB 4.06Å; F429-V435 HydrophobicContact CB-CG2 4.25Å; F429-V435 HydrophobicContact CD1-CB 4.21Å; F429-V435 HydrophobicContact CD1-CG2 3.85Å; F429-V435 HydrophobicContact CD2-CB 3.59Å; F429-V435 HydrophobicContact CD2-CG1 3.83Å; F429-V435 HydrophobicContact CD2-CG2 4.16Å; F429-V435 HydrophobicContact CE1-CG2 4.16Å; F429-V435 HydrophobicContact CE2-CB 4.01Å; F429-V435 HydrophobicContact CE2-CG1 3.75Å; F429-V435 HydrophobicContact CE2-CG2 4.47Å; F429-V435 HydrophobicContact CG-CB 3.69Å; F429-V435 HydrophobicContact CG-CG1 4.37Å; F429-V435 HydrophobicContact CG-CG2 3.83Å; F429-V435 HydrophobicContact CZ-CB 4.46Å; F429-V435 HydrophobicContact CZ-CG1 4.21Å; F429-V435 HydrophobicContact CZ-CG2 4.46Å
430	K	98.1	Very high	98.5	Very high	148 Å²	148	35.6 Å²	35.6	64%	0.643	18%	0.175	S	C	*	.			trans	-111	-46.8	-179.2	-61.7	-172.5	175.7	179.9	0	112.9	Q330 E434	Q330-K430 PolarHBondContact NE2-O 3.39Å; K430-E434 PolarHBondContact N-OE2 3.5Å
431	S	98.3	Very high	98.5	Very high	54 Å²	54	40.2 Å²	40.2	38%	0.378	20%	0.201	S	C	.	.			trans	-114.9	153.7	-173.4	81.6	0	0	0	0	113.3	F429 Q433 E434 V435	F429-S431 WeakPolarHBondContact CD2-O 3.29Å; S431-Q433 VanDerWaalsContact C-N 3.29Å; S431-Q433 PolarHBondContact O-N 3.02Å; S431-E434 PolarHBondContact N-OE2 3.01Å; S431-E434 PolarHBondContact O-N 3.33Å; S431-E434 WeakPolarHBondContact OG-CB 3.38Å; S431-E434 PolarHBondContact OG-N 3.49Å; S431-V435 PolarHBondContact O-N 2.63Å
432	K	98.1	Very high	98.5	Very high	89 Å²	89	41 Å²	41	39%	0.387	21%	0.207	S	C	.	.	H	α-helix	trans	-58	-41.9	175.3	-175.1	-176.5	72.5	169.6	0	112	F297 V435 I436 R457 S460 V461	F297-K432 HydrophobicContact CE1-CB 4.36Å; F297-K432 HydrophobicContact CE1-CG 4.48Å; F297-K432 HydrophobicContact CZ-CG 4.19Å; K432-V435 VanDerWaalsContact O-CG1 3.28Å; K432-V435 WeakPolarHBondContact O-CG1 3.34Å; K432-I436 HydrophobicContact CG-CD1 4.01Å; K432-I436 WeakPolarHBondContact O-CD1 3.17Å; K432-I436 VanDerWaalsContact O-CG1 3.31Å; K432-I436 WeakPolarHBondContact O-CG1 3.38Å; K432-I436 PolarHBondContact O-N 2.98Å; K432-R457 HydrophobicContact CD-CG 4.37Å; K432-S460 PolarHBondContact NZ-OG 3.3Å; K432-V461 HydrophobicContact CD-CG2 3.85Å; K432-V461 HydrophobicContact CG-CG2 3.83Å
433	Q	98.3	Very high	98.5	Very high	108 Å²	108	46 Å²	46	51%	0.505	23%	0.23	S	C	.	.	H	α-helix	trans	-66.6	-48.2	-177.4	-174	61.9	25.6	0	0	111.1	S431 V435 I436 E437	S431-Q433 VanDerWaalsContact C-N 3.29Å; S431-Q433 PolarHBondContact O-N 3.02Å; Q433-V435 VanDerWaalsContact C-N 3.33Å; Q433-V435 PolarHBondContact O-N 3.45Å; Q433-I436 PolarHBondContact O-N 3.41Å; Q433-E437 WeakPolarHBondContact CG-OE1 3.29Å; Q433-E437 PolarHBondContact NE2-OE1 3.24Å; Q433-E437 PolarHBondContact O-N 3.26Å; Q433-E437 VanDerWaalsContact O-N 3.09Å
434	E	98.4	Very high	98.5	Very high	54 Å²	54	47.2 Å²	47.2	25%	0.252	23%	0.234	S	C	.	.	H	α-helix	trans	-54.5	-47.2	176.7	-179.4	-148.9	149.4	0	0	111.9	K430 S431 I436 E437 R438	K430-E434 PolarHBondContact N-OE2 3.5Å; S431-E434 PolarHBondContact N-OE2 3.01Å; S431-E434 PolarHBondContact O-N 3.33Å; S431-E434 WeakPolarHBondContact OG-CB 3.38Å; S431-E434 PolarHBondContact OG-N 3.49Å; E434-I436 PolarHBondContact O-N 2.72Å; E434-E437 PolarHBondContact O-N 3.22Å; E434-R438 WeakPolarHBondContact O-CB 3.4Å; E434-R438 VanDerWaalsContact O-CG 3.27Å; E434-R438 WeakPolarHBondContact O-CG 3.41Å; E434-R438 PolarHBondContact O-N 3.28Å; E434-R438 IonicContact OE1-CZ 3.28Å; E434-R438 IonicContact OE1-NH1 2.7Å; E434-R438 PolarHBondContact OE1-NH1 2.8Å
435	V	98.7	Very high	98.5	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-70.9	-31.7	-176.7	71.1	0	0	0	0	112.9	I295 F297 F328 F429 S431 K432 Q433 A439	I295-V435 HydrophobicContact CB-CG2 4.48Å; I295-V435 HydrophobicContact CD1-CG1 4.33Å; I295-V435 HydrophobicContact CD1-CG2 3.98Å; I295-V435 HydrophobicContact CG1-CG2 3.91Å; I295-V435 HydrophobicContact CG2-CG1 3.96Å; I295-V435 HydrophobicContact CG2-CG2 3.87Å; F297-V435 HydrophobicContact CZ-CG1 4.14Å; F328-V435 HydrophobicContact CB-CG2 3.47Å; F328-V435 VanDerWaalsContact CB-CG2 3.47Å; F328-V435 HydrophobicContact CD1-CG2 4.15Å; F328-V435 HydrophobicContact CD2-CG2 4.36Å; F328-V435 HydrophobicContact CG-CG2 3.75Å; F429-V435 HydrophobicContact CB-CB 4.06Å; F429-V435 HydrophobicContact CB-CG2 4.25Å; F429-V435 HydrophobicContact CD1-CB 4.21Å; F429-V435 HydrophobicContact CD1-CG2 3.85Å; F429-V435 HydrophobicContact CD2-CB 3.59Å; F429-V435 HydrophobicContact CD2-CG1 3.83Å; F429-V435 HydrophobicContact CD2-CG2 4.16Å; F429-V435 HydrophobicContact CE1-CG2 4.16Å; F429-V435 HydrophobicContact CE2-CB 4.01Å; F429-V435 HydrophobicContact CE2-CG1 3.75Å; F429-V435 HydrophobicContact CE2-CG2 4.47Å; F429-V435 HydrophobicContact CG-CB 3.69Å; F429-V435 HydrophobicContact CG-CG1 4.37Å; F429-V435 HydrophobicContact CG-CG2 3.83Å; F429-V435 HydrophobicContact CZ-CB 4.46Å; F429-V435 HydrophobicContact CZ-CG1 4.21Å; F429-V435 HydrophobicContact CZ-CG2 4.46Å; S431-V435 PolarHBondContact O-N 2.63Å; K432-V435 VanDerWaalsContact O-CG1 3.28Å; K432-V435 WeakPolarHBondContact O-CG1 3.34Å; Q433-V435 VanDerWaalsContact C-N 3.33Å; Q433-V435 PolarHBondContact O-N 3.45Å; V435-A439 WeakPolarHBondContact O-CB 3.43Å; V435-A439 PolarHBondContact O-N 3.02Å
436	I	98.8	Very high	98.5	Very high	16 Å²	16	47.3 Å²	47.3	8%	0.082	24%	0.235	C	C	.	.	H	α-helix	trans	-64.6	-48.6	173.7	-70.5	165.8	0	0	0	109.9	K432 Q433 E434 R438 A439 N440 V461 A464	K432-I436 HydrophobicContact CG-CD1 4.01Å; K432-I436 WeakPolarHBondContact O-CD1 3.17Å; K432-I436 VanDerWaalsContact O-CG1 3.31Å; K432-I436 WeakPolarHBondContact O-CG1 3.38Å; K432-I436 PolarHBondContact O-N 2.98Å; Q433-I436 PolarHBondContact O-N 3.41Å; E434-I436 PolarHBondContact O-N 2.72Å; I436-R438 VanDerWaalsContact C-N 3.35Å; I436-R438 PolarHBondContact O-N 3.18Å; I436-A439 PolarHBondContact O-N 3.49Å; I436-N440 WeakPolarHBondContact O-CB 3.47Å; I436-N440 PolarHBondContact O-N 3.17Å; I436-V461 HydrophobicContact CD1-CG2 4.29Å; I436-V461 HydrophobicContact CG1-CG1 4.28Å; I436-A464 HydrophobicContact CD1-CB 4.05Å; I436-A464 HydrophobicContact CG2-CB 3.89Å
437	E	98.7	Very high	98.4	Very high	116 Å²	116	47.3 Å²	47.3	54%	0.542	24%	0.235	S	C	.	.	H	α-helix	trans	-59	-46.2	178.8	-72.2	169.4	-167.4	0	0	111.3	Q433 E434 N440 N441	Q433-E437 WeakPolarHBondContact CG-OE1 3.29Å; Q433-E437 PolarHBondContact NE2-OE1 3.24Å; Q433-E437 PolarHBondContact O-N 3.26Å; Q433-E437 VanDerWaalsContact O-N 3.09Å; E434-E437 PolarHBondContact O-N 3.22Å; E437-N440 PolarHBondContact O-N 3.43Å; E437-N441 VanDerWaalsContact O-CB 3.31Å; E437-N441 WeakPolarHBondContact O-CB 3.45Å; E437-N441 PolarHBondContact O-N 3.25Å
438	R	98.6	Very high	98.4	Very high	42 Å²	42	47.3 Å²	47.3	16%	0.158	24%	0.235	C	C	.	.	H	α-helix	trans	-69.2	-37.1	178.5	-67.3	171.8	64.9	-156.3	-7.1	113	R326 F328 D410 S428 E434 I436 N441	R326-R438 PolarHBondContact NH1-O 3.05Å; F328-R438 HydrophobicContact CE1-CB 4.07Å; F328-R438 HydrophobicContact CZ-CB 4.39Å; D410-R438 IonicContact OD1-CZ 2.66Å; D410-R438 IonicContact OD1-NE 3.61Å; D410-R438 PolarHBondContact OD1-NE 3.2Å; D410-R438 IonicContact OD1-NH2 2.82Å; D410-R438 PolarHBondContact OD1-NH2 3.33Å; D410-R438 IonicContact OD2-CZ 2.83Å; D410-R438 IonicContact OD2-NE 3.65Å; D410-R438 PolarHBondContact OD2-NE 3.48Å; D410-R438 IonicContact OD2-NH2 3.72Å; S428-R438 PolarHBondContact O-NH1 3.22Å; E434-R438 WeakPolarHBondContact O-CB 3.4Å; E434-R438 VanDerWaalsContact O-CG 3.27Å; E434-R438 WeakPolarHBondContact O-CG 3.41Å; E434-R438 PolarHBondContact O-N 3.28Å; E434-R438 IonicContact OE1-CZ 3.28Å; E434-R438 IonicContact OE1-NH1 2.7Å; E434-R438 PolarHBondContact OE1-NH1 2.8Å; I436-R438 VanDerWaalsContact C-N 3.35Å; I436-R438 PolarHBondContact O-N 3.18Å; R438-N441 PolarHBondContact O-N 3.15Å
439	A	98.6	Very high	98.4	Very high	3 Å²	3	44.9 Å²	44.9	3%	0.025	22%	0.218	C	C	.	.	H	α-helix	trans	-63.4	-44.2	175.5	0	0	0	0	0	111.2	P293 I295 R326 V435 I436 L465	P293-A439 HydrophobicContact CB-CB 3.83Å; P293-A439 HydrophobicContact CG-CB 3.91Å; I295-A439 HydrophobicContact CD1-CB 4.06Å; R326-A439 PolarHBondContact NH1-O 2.97Å; R326-A439 PolarHBondContact NH2-O 3.33Å; V435-A439 WeakPolarHBondContact O-CB 3.43Å; V435-A439 PolarHBondContact O-N 3.02Å; I436-A439 PolarHBondContact O-N 3.49Å; A439-L465 HydrophobicContact CB-CD2 3.7Å
440	N	98.8	Very high	98.5	Very high	24 Å²	24	44.8 Å²	44.8	13%	0.128	22%	0.217	C	C	.	.	H	α-helix	trans	-77.4	-18.2	179	-71.2	-13.9	0	0	0	113.7	I436 E437 S442 A464 E466 K488	I436-N440 WeakPolarHBondContact O-CB 3.47Å; I436-N440 PolarHBondContact O-N 3.17Å; E437-N440 PolarHBondContact O-N 3.43Å; N440-S442 PolarHBondContact O-N 3.34Å; N440-A464 PolarHBondContact ND2-O 3.35Å; N440-E466 HydrophobicContact CB-CG 4.45Å; N440-E466 PolarHBondContact OD1-N 3.5Å; N440-K488 PolarHBondContact O-NZ 2.92Å
441	N	98.4	Very high	98.5	Very high	126 Å²	126	37.7 Å²	37.7	67%	0.674	19%	0.187	S	C	*	.			trans	-71.9	68.1	173.7	-170.5	17.7	0	0	0	111.9	E437 R438	E437-N441 VanDerWaalsContact O-CB 3.31Å; E437-N441 WeakPolarHBondContact O-CB 3.45Å; E437-N441 PolarHBondContact O-N 3.25Å; R438-N441 PolarHBondContact O-N 3.15Å
442	S	97.6	Very high	98.5	Very high	23 Å²	23	35.2 Å²	35.2	16%	0.161	17%	0.169	C	C	.	.	S	Bend	trans	-150.9	147.9	174.4	-170.6	0	0	0	0	108.7	N440 Y444 K488	N440-S442 PolarHBondContact O-N 3.34Å; S442-Y444 PolarHBondContact O-N 3.07Å; S442-Y444 PolarHBondContact OG-N 3.49Å; S442-K488 WeakPolarHBondContact O-CD 3.35Å; S442-K488 PolarHBondContact O-NZ 3.02Å; S442-K488 VanDerWaalsContact O-NZ 3.08Å
443	Q	97.6	Very high	98.5	Very high	104 Å²	104	38.3 Å²	38.3	49%	0.486	18%	0.183	S	C	.	.	S	Bend	trans	-69.1	-17.8	167.5	68.4	-175.9	0.5	0	0	112.3	K488 M489	Q443-K488 WeakPolarHBondContact O-CB 3.36Å; Q443-M489 HydrophobicContact CB-CG 4.48Å; Q443-M489 HydrophobicContact CB-SD 4.02Å; Q443-M489 HydrophobicContact CG-SD 4.36Å; Q443-M489 WeakPolarHBondContact O-CB 3.45Å; Q443-M489 PolarHBondContact O-N 3.07Å
444	Y	98.6	Very high	98.5	Very high	31 Å²	31	34.8 Å²	34.8	12%	0.122	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	158.2	178.8	-62.9	-56.3	0	0	0	111.9	T266 G289 K291 S442 S490	T266-Y444 HydrophobicContact CG2-CE1 4.1Å; T266-Y444 VanDerWaalsContact OG1-CE1 3.27Å; T266-Y444 WeakPolarHBondContact OG1-CE1 3.1Å; G289-Y444 WeakPolarHBondContact O-CD1 3.34Å; K291-Y444 HydrophobicContact CB-CD2 3.79Å; S442-Y444 PolarHBondContact O-N 3.07Å; S442-Y444 PolarHBondContact OG-N 3.49Å; Y444-S490 WeakPolarHBondContact CA-OG 3.44Å; Y444-S490 WeakPolarHBondContact CB-OG 3.34Å
445	G	98.4	Very high	98.5	Very high	2 Å²	2	38.4 Å²	38.4	2%	0.021	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.4	45.2	179.4	0	0	0	0	0	112.4	E466 T467 G468 Y487 S490	G445-E466 WeakPolarHBondContact CA-O 3.28Å; G445-T467 VanDerWaalsContact O-CA 3.31Å; G445-T467 WeakPolarHBondContact O-CA 3.38Å; G445-G468 PolarHBondContact O-N 3.15Å; G445-Y487 WeakPolarHBondContact O-CB 3.45Å; G445-Y487 PolarHBondContact O-N 2.61Å; G445-S490 PolarHBondContact N-OG 3.19Å
446	L	98.6	Very high	98.5	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.221	C	C	.	.	S	Bend	trans	-76.2	-69.2	-177.1	-169.4	57	0	0	0	111.7	C321 G468 T469 F484 S490	C321-L446 HydrophobicContact CB-CD2 3.56Å; C321-L446 WeakPolarHBondContact O-CD2 3.23Å; L446-G468 WeakPolarHBondContact O-CA 3.5Å; L446-G468 PolarHBondContact O-N 3.08Å; L446-T469 PolarHBondContact O-N 3.42Å; L446-F484 HydrophobicContact CD1-CE1 3.93Å; L446-F484 HydrophobicContact CD1-CZ 3.81Å; L446-F484 HydrophobicContact CD2-CE1 4.46Å; L446-F484 HydrophobicContact CD2-CZ 3.96Å; L446-F484 HydrophobicContact CG-CE1 4.45Å; L446-F484 HydrophobicContact CG-CZ 3.88Å; L446-S490 PolarHBondContact N-OG 3.09Å
447	V	98.7	Very high	98.5	Very high	0 Å²	0	47 Å²	47	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	162.5	177.9	-54.4	0	0	0	0	111.9	N292 P293 T322 T469 W471 F484	N292-V447 WeakPolarHBondContact CA-O 3.34Å; N292-V447 HydrophobicContact CB-CG2 3.71Å; N292-V447 VanDerWaalsContact CB-O 3.23Å; N292-V447 WeakPolarHBondContact CB-O 3.39Å; N292-V447 VanDerWaalsContact CG-CG2 3.41Å; N292-V447 PolarHBondContact OD1-N 2.89Å; N292-V447 VanDerWaalsContact OD1-N 3.14Å; N292-V447 PolarHBondContact OD1-O 3.41Å; P293-V447 WeakPolarHBondContact CD-O 3.42Å; T322-V447 HydrophobicContact CG2-CG1 3.91Å; T322-V447 HydrophobicContact CG2-CG2 4.25Å; V447-T469 CarbonylContact C-O 3.54Å; V447-T469 VanDerWaalsContact CA-O 3.24Å; V447-T469 WeakPolarHBondContact CA-O 3.29Å; V447-W471 HydrophobicContact CB-CH2 4.15Å; V447-W471 HydrophobicContact CB-CZ3 3.92Å; V447-W471 HydrophobicContact CG1-CH2 3.96Å; V447-W471 HydrophobicContact CG1-CZ3 4.25Å; V447-W471 HydrophobicContact CG2-CH2 4.13Å; V447-W471 HydrophobicContact CG2-CZ3 3.71Å; V447-F484 HydrophobicContact CG1-CD2 4.49Å; V447-F484 HydrophobicContact CG1-CE2 3.58Å; V447-F484 HydrophobicContact CG1-CZ 4.23Å
448	S	98.6	Very high	98.5	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	166.2	166.9	58.7	0	0	0	0	111.3	P293 L465 T467 T469 V470 W471	P293-S448 CarbonylContact O-C 3.59Å; P293-S448 WeakPolarHBondContact O-CA 3.45Å; P293-S448 WeakPolarHBondContact O-CB 3.43Å; S448-L465 WeakPolarHBondContact OG-CD1 3.47Å; S448-T467 PolarHBondContact OG-OG1 2.94Å; S448-T469 PolarHBondContact N-O 2.92Å; S448-V470 WeakPolarHBondContact O-CA 3.42Å; S448-V470 WeakPolarHBondContact OG-CG2 3.46Å; S448-W471 PolarHBondContact O-N 2.96Å
449	A	98.8	Very high	98.5	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	150	170.6	0	0	0	0	0	112.5	P293 C294 I295 F451 W471 Y475	P293-A449 PolarHBondContact O-N 3.27Å; C294-A449 CarbonylContact C-O 3.6Å; C294-A449 WeakPolarHBondContact CA-O 3.16Å; I295-A449 PolarHBondContact N-O 3.37Å; A449-F451 HydrophobicContact CB-CE2 3.83Å; A449-F451 HydrophobicContact CB-CZ 4.49Å; A449-W471 CarbonylContact C-O 3.59Å; A449-W471 WeakPolarHBondContact CA-O 3.44Å; A449-W471 HydrophobicContact CB-CB 4.2Å; A449-Y475 HydrophobicContact CB-CD2 3.39Å; A449-Y475 HydrophobicContact CB-CE2 3.52Å
450	V	98.9	Very high	98.5	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	125.4	177.8	-172.9	0	0	0	0	109.6	I295 F297 T452 V461 L465 V470 W471 I472 N473	I295-V450 CarbonylContact O-C 3.42Å; I295-V450 WeakPolarHBondContact O-CA 3.23Å; F297-V450 HydrophobicContact CD2-CG1 4.06Å; F297-V450 HydrophobicContact CE2-CG1 3.88Å; V450-T452 HydrophobicContact CG1-CG2 4.11Å; V450-V461 HydrophobicContact CG1-CB 4.43Å; V450-V461 HydrophobicContact CG1-CG1 4.24Å; V450-V461 HydrophobicContact CG2-CB 4.35Å; V450-V461 HydrophobicContact CG2-CG1 3.68Å; V450-L465 HydrophobicContact CG2-CD1 3.78Å; V450-V470 HydrophobicContact CG2-CG1 4.26Å; V450-W471 PolarHBondContact N-O 3.26Å; V450-I472 HydrophobicContact CB-CD1 3.78Å; V450-I472 HydrophobicContact CG2-CD1 4.17Å; V450-I472 CarbonylContact O-C 3.44Å; V450-I472 WeakPolarHBondContact O-CA 3.33Å; V450-N473 PolarHBondContact O-N 3.47Å
451	F	98.9	Very high	98.5	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	113.6	177.6	-65.2	-94.5	0	0	0	109.5	I295 V296 F297 C300 M304 A305 E308 I309 A449 N473	I295-F451 PolarHBondContact O-N 3.21Å; V296-F451 HydrophobicContact CG1-CB 4.37Å; V296-F451 HydrophobicContact CG2-CD2 4.27Å; F297-F451 PolarHBondContact N-O 3Å; C300-F451 HydrophobicContact CB-CB 3.96Å; M304-F451 HydrophobicContact CE-CD1 3.94Å; M304-F451 HydrophobicContact CE-CE1 4.41Å; M304-F451 HydrophobicContact SD-CD1 3.79Å; M304-F451 HydrophobicContact SD-CE1 3.68Å; A305-F451 HydrophobicContact CB-CB 4.02Å; A305-F451 HydrophobicContact CB-CD1 3.66Å; A305-F451 HydrophobicContact CB-CE1 4.3Å; A305-F451 HydrophobicContact CB-CG 3.84Å; E308-F451 HydrophobicContact CB-CE1 3.78Å; E308-F451 HydrophobicContact CB-CZ 3.86Å; E308-F451 HydrophobicContact CG-CE1 4.37Å; I309-F451 HydrophobicContact CD1-CD2 3.85Å; I309-F451 HydrophobicContact CD1-CE2 3.66Å; I309-F451 HydrophobicContact CD1-CZ 4.27Å; I309-F451 HydrophobicContact CG1-CD2 4.15Å; I309-F451 HydrophobicContact CG1-CE2 3.43Å; I309-F451 VanDerWaalsContact CG1-CE2 3.43Å; I309-F451 HydrophobicContact CG1-CZ 3.72Å; A449-F451 HydrophobicContact CB-CE2 3.83Å; A449-F451 HydrophobicContact CB-CZ 4.49Å; F451-N473 WeakPolarHBondContact CA-OD1 3.06Å
452	T	98.8	Very high	98.5	Very high	2 Å²	2	41.7 Å²	41.7	1%	0.012	21%	0.214	C	C	.	.			trans	-167.2	152	-177.6	-173.3	0	0	0	0	111	D299 V450 S454 R457 A458 N473	D299-T452 VanDerWaalsContact CG-OG1 3.27Å; D299-T452 WeakPolarHBondContact OD1-CA 3.49Å; D299-T452 WeakPolarHBondContact OD1-CB 3.08Å; D299-T452 PolarHBondContact OD1-OG1 2.86Å; D299-T452 PolarHBondContact OD2-OG1 3.41Å; D299-T452 VanDerWaalsContact OD2-OG1 3.12Å; V450-T452 HydrophobicContact CG1-CG2 4.11Å; T452-S454 PolarHBondContact OG1-N 2.85Å; T452-R457 HydrophobicContact CG2-CB 4.27Å; T452-R457 PolarHBondContact OG1-NH1 3.25Å; T452-A458 HydrophobicContact CG2-CB 4.03Å; T452-N473 PolarHBondContact N-OD1 3.5Å; T452-N473 PolarHBondContact O-ND2 3.03Å; T452-N473 PolarHBondContact O-OD1 3.37Å; T452-N473 VanDerWaalsContact O-OD1 3.13Å
453	K	98.5	Very high	98.5	Very high	154 Å²	154	44 Å²	44	67%	0.67	24%	0.242	S	C	*	.	S	Bend	trans	-89.7	-13.9	171.5	-70.7	178.8	-169.3	172.5	0	113.2	D299	D299-K453 WeakPolarHBondContact O-CD 3.31Å; D299-K453 WeakPolarHBondContact O-CE 3.18Å; D299-K453 WeakPolarHBondContact O-CG 3.26Å; D299-K453 PolarHBondContact OD1-N 3.48Å
454	S	98.6	Very high	98.6	Very high	34 Å²	34	40.9 Å²	40.9	24%	0.238	23%	0.234	C	C	.	.			trans	-81	121.3	179.1	174.7	0	0	0	0	111.8	D299 T452 R457 A458	D299-S454 PolarHBondContact OD2-N 3.27Å; T452-S454 PolarHBondContact OG1-N 2.85Å; S454-R457 PolarHBondContact O-N 3.18Å; S454-R457 PolarHBondContact OG-N 2.91Å; S454-A458 WeakPolarHBondContact O-CB 3.5Å; S454-A458 PolarHBondContact O-N 3.49Å
455	M	98.3	Very high	98.6	Very high	130 Å²	130	39.9 Å²	39.9	64%	0.64	23%	0.231	S	C	*	.	H	α-helix	trans	-62.3	-47.1	173.9	-174.2	62.1	73	0	0	111.9	R457 A458 L459	M455-R457 PolarHBondContact O-N 2.85Å; M455-A458 WeakPolarHBondContact O-CB 3.18Å; M455-A458 PolarHBondContact O-N 2.97Å; M455-A458 VanDerWaalsContact O-N 3.11Å; M455-L459 HydrophobicContact CG-CD1 3.96Å; M455-L459 HydrophobicContact CG-CG 4.38Å; M455-L459 WeakPolarHBondContact O-CG 3.33Å; M455-L459 PolarHBondContact O-N 3.38Å; M455-L459 HydrophobicContact SD-CD1 4.21Å; M455-L459 HydrophobicContact SD-CG 4.18Å
456	D	98.4	Very high	98.6	Very high	127 Å²	127	43.9 Å²	43.9	68%	0.679	25%	0.248	S	C	*	.	H	α-helix	trans	-58.6	-37.9	179.7	-61.6	-13.6	0	0	0	111.8	S460	D456-S460 VanDerWaalsContact O-CB 3.25Å; D456-S460 WeakPolarHBondContact O-CB 3.33Å; D456-S460 PolarHBondContact O-N 2.82Å; D456-S460 PolarHBondContact O-OG 2.59Å
457	R	98.4	Very high	98.5	Very high	69 Å²	69	44.4 Å²	44.4	26%	0.26	25%	0.252	S	S	.	.	H	α-helix	trans	-70.9	-45.6	175.9	-165.7	176.2	-57.1	107.7	-0.6	111.6	F297 D299 K432 T452 S454 M455 L459 S460 V461	F297-R457 VanDerWaalsContact CD1-CD 3.43Å; F297-R457 HydrophobicContact CD2-CG 4.16Å; F297-R457 HydrophobicContact CE1-CG 4.46Å; F297-R457 VanDerWaalsContact CE2-CD 3.47Å; F297-R457 HydrophobicContact CE2-CG 3.89Å; F297-R457 HydrophobicContact CZ-CG 4.06Å; D299-R457 IonicContact OD1-NH1 2.68Å; D299-R457 PolarHBondContact OD1-NH1 2.72Å; D299-R457 IonicContact OD2-CZ 3.8Å; D299-R457 IonicContact OD2-NH1 2.77Å; D299-R457 PolarHBondContact OD2-NH1 3.06Å; K432-R457 HydrophobicContact CD-CG 4.37Å; T452-R457 HydrophobicContact CG2-CB 4.27Å; T452-R457 PolarHBondContact OG1-NH1 3.25Å; S454-R457 PolarHBondContact O-N 3.18Å; S454-R457 PolarHBondContact OG-N 2.91Å; M455-R457 PolarHBondContact O-N 2.85Å; R457-L459 VanDerWaalsContact C-N 3.32Å; R457-L459 PolarHBondContact O-N 2.82Å; R457-S460 PolarHBondContact O-N 2.84Å; R457-V461 HydrophobicContact CG-CG2 3.86Å; R457-V461 VanDerWaalsContact O-CB 3.26Å; R457-V461 WeakPolarHBondContact O-CB 3.34Å; R457-V461 WeakPolarHBondContact O-CG2 3.21Å; R457-V461 PolarHBondContact O-N 3.41Å
458	A	98.6	Very high	98.5	Very high	7 Å²	7	45.4 Å²	45.4	6%	0.058	26%	0.262	C	S	.	.	H	α-helix	trans	-55.5	-48.8	176.5	0	0	0	0	0	111.3	T452 S454 M455 S462 I472	T452-A458 HydrophobicContact CG2-CB 4.03Å; S454-A458 WeakPolarHBondContact O-CB 3.5Å; S454-A458 PolarHBondContact O-N 3.49Å; M455-A458 WeakPolarHBondContact O-CB 3.18Å; M455-A458 PolarHBondContact O-N 2.97Å; M455-A458 VanDerWaalsContact O-N 3.11Å; A458-S462 VanDerWaalsContact O-CB 3.23Å; A458-S462 WeakPolarHBondContact O-CB 3.31Å; A458-S462 PolarHBondContact O-N 3Å; A458-S462 PolarHBondContact O-OG 2.86Å; A458-I472 HydrophobicContact CB-CD1 4.17Å; A458-I472 HydrophobicContact CB-CG1 4.44Å; A458-I472 HydrophobicContact CB-CG2 3.81Å
459	L	98.5	Very high	98.5	Very high	110 Å²	110	46.6 Å²	46.6	58%	0.576	27%	0.27	S	S	*	.	H	α-helix	trans	-67.5	-48.4	179.7	-67	174.4	0	0	0	112.4	M455 R457 S462 G463	M455-L459 HydrophobicContact CG-CD1 3.96Å; M455-L459 HydrophobicContact CG-CG 4.38Å; M455-L459 WeakPolarHBondContact O-CG 3.33Å; M455-L459 PolarHBondContact O-N 3.38Å; M455-L459 HydrophobicContact SD-CD1 4.21Å; M455-L459 HydrophobicContact SD-CG 4.18Å; R457-L459 VanDerWaalsContact C-N 3.32Å; R457-L459 PolarHBondContact O-N 2.82Å; L459-S462 PolarHBondContact O-OG 3.35Å; L459-S462 VanDerWaalsContact O-OG 3.14Å; L459-G463 PolarHBondContact O-N 3.27Å
460	S	98.4	Very high	98.5	Very high	50 Å²	50	48.7 Å²	48.7	35%	0.35	28%	0.282	S	S	.	.	H	α-helix	trans	-68.9	-36	-177.7	61.1	0	0	0	0	113.5	K432 D456 R457 A464	K432-S460 PolarHBondContact NZ-OG 3.3Å; D456-S460 VanDerWaalsContact O-CB 3.25Å; D456-S460 WeakPolarHBondContact O-CB 3.33Å; D456-S460 PolarHBondContact O-N 2.82Å; D456-S460 PolarHBondContact O-OG 2.59Å; R457-S460 PolarHBondContact O-N 2.84Å; S460-A464 WeakPolarHBondContact O-CB 3.43Å; S460-A464 PolarHBondContact O-N 2.92Å
461	V	98.7	Very high	98.5	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-73.8	-46.5	177	178.1	0	0	0	0	110.1	I295 F297 K432 I436 V450 R457 G463 A464 L465	I295-V461 HydrophobicContact CD1-CG1 4.01Å; F297-V461 HydrophobicContact CE2-CG2 4.02Å; F297-V461 HydrophobicContact CZ-CG2 3.99Å; K432-V461 HydrophobicContact CD-CG2 3.85Å; K432-V461 HydrophobicContact CG-CG2 3.83Å; I436-V461 HydrophobicContact CD1-CG2 4.29Å; I436-V461 HydrophobicContact CG1-CG1 4.28Å; V450-V461 HydrophobicContact CG1-CB 4.43Å; V450-V461 HydrophobicContact CG1-CG1 4.24Å; V450-V461 HydrophobicContact CG2-CB 4.35Å; V450-V461 HydrophobicContact CG2-CG1 3.68Å; R457-V461 HydrophobicContact CG-CG2 3.86Å; R457-V461 VanDerWaalsContact O-CB 3.26Å; R457-V461 WeakPolarHBondContact O-CB 3.34Å; R457-V461 WeakPolarHBondContact O-CG2 3.21Å; R457-V461 PolarHBondContact O-N 3.41Å; V461-G463 VanDerWaalsContact C-N 3.33Å; V461-G463 PolarHBondContact O-N 2.84Å; V461-A464 PolarHBondContact O-N 3.24Å; V461-L465 HydrophobicContact CG1-CD1 3.9Å; V461-L465 HydrophobicContact CG1-CG 4.25Å; V461-L465 WeakPolarHBondContact O-CG 3.37Å; V461-L465 PolarHBondContact O-N 3.44Å
462	S	98.3	Very high	98.5	Very high	32 Å²	32	52.1 Å²	52.1	22%	0.224	30%	0.299	C	S	.	.	H	α-helix	trans	-61.6	-39	178.8	56.1	0	0	0	0	113.4	A458 L459 A464 L465	A458-S462 VanDerWaalsContact O-CB 3.23Å; A458-S462 WeakPolarHBondContact O-CB 3.31Å; A458-S462 PolarHBondContact O-N 3Å; A458-S462 PolarHBondContact O-OG 2.86Å; L459-S462 PolarHBondContact O-OG 3.35Å; L459-S462 VanDerWaalsContact O-OG 3.14Å; S462-A464 PolarHBondContact O-N 3.39Å; S462-L465 PolarHBondContact O-N 3.45Å
463	G	98.3	Very high	98.5	Very high	72 Å²	72	54.8 Å²	54.8	74%	0.742	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-18	175.1	0	0	0	0	0	114.5	L459 V461	L459-G463 PolarHBondContact O-N 3.27Å; V461-G463 VanDerWaalsContact C-N 3.33Å; V461-G463 PolarHBondContact O-N 2.84Å
464	A	98.6	Very high	98.5	Very high	38 Å²	38	49.2 Å²	49.2	31%	0.314	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.2	-12.1	-179.5	0	0	0	0	0	113.6	I436 N440 S460 V461 S462	I436-A464 HydrophobicContact CD1-CB 4.05Å; I436-A464 HydrophobicContact CG2-CB 3.89Å; N440-A464 PolarHBondContact ND2-O 3.35Å; S460-A464 WeakPolarHBondContact O-CB 3.43Å; S460-A464 PolarHBondContact O-N 2.92Å; V461-A464 PolarHBondContact O-N 3.24Å; S462-A464 PolarHBondContact O-N 3.39Å
465	L	98.7	Very high	98.5	Very high	11 Å²	11	48.1 Å²	48.1	6%	0.058	28%	0.284	C	S	.	.			trans	-81.9	128.1	-177.7	-74	169	0	0	0	111.3	I295 A439 S448 V450 V461 S462 T467 V470	I295-L465 HydrophobicContact CD1-CD1 4.28Å; I295-L465 HydrophobicContact CD1-CD2 4.03Å; A439-L465 HydrophobicContact CB-CD2 3.7Å; S448-L465 WeakPolarHBondContact OG-CD1 3.47Å; V450-L465 HydrophobicContact CG2-CD1 3.78Å; V461-L465 HydrophobicContact CG1-CD1 3.9Å; V461-L465 HydrophobicContact CG1-CG 4.25Å; V461-L465 WeakPolarHBondContact O-CG 3.37Å; V461-L465 PolarHBondContact O-N 3.44Å; S462-L465 PolarHBondContact O-N 3.45Å; L465-T467 PolarHBondContact O-N 3.21Å; L465-V470 HydrophobicContact CB-CG2 4.32Å; L465-V470 HydrophobicContact CD1-CG1 4.11Å
466	E	98.6	Very high	98.4	Very high	85 Å²	85	43.8 Å²	43.8	40%	0.397	26%	0.263	S	S	.	.			trans	-86.4	58.3	-178.4	-64.8	173.5	167.1	0	0	111.1	N440 G445 Y487 K488	N440-E466 HydrophobicContact CB-CG 4.45Å; N440-E466 PolarHBondContact OD1-N 3.5Å; G445-E466 WeakPolarHBondContact CA-O 3.28Å; E466-Y487 HydrophobicContact CB-CD2 4.39Å; E466-K488 WeakPolarHBondContact OE2-CE 3.23Å; E466-K488 IonicContact OE2-NZ 3.86Å; E466-K488 PolarHBondContact OE2-NZ 3.01Å
467	T	98.1	Very high	98.3	Very high	11 Å²	11	39.4 Å²	39.4	7%	0.067	24%	0.244	C	C	.	.	S	Bend	trans	-130.4	153	-179.4	60.7	0	0	0	0	112	G445 S448 L465 T469 V470	G445-T467 VanDerWaalsContact O-CA 3.31Å; G445-T467 WeakPolarHBondContact O-CA 3.38Å; S448-T467 PolarHBondContact OG-OG1 2.94Å; L465-T467 PolarHBondContact O-N 3.21Å; T467-T469 PolarHBondContact OG1-O 3.34Å; T467-V470 WeakPolarHBondContact OG1-CG2 3.45Å
468	G	98.3	Very high	98.1	Very high	22 Å²	22	38.9 Å²	38.9	23%	0.227	25%	0.246	C	C	.	.	S	Bend	trans	-72.6	-26.5	-178.9	0	0	0	0	0	115.5	G445 L446 G485	G445-G468 PolarHBondContact O-N 3.15Å; L446-G468 WeakPolarHBondContact O-CA 3.5Å; L446-G468 PolarHBondContact O-N 3.08Å; G468-G485 VanDerWaalsContact CA-O 3.27Å; G468-G485 WeakPolarHBondContact CA-O 3.39Å
469	T	98.8	Very high	98	Very high	25 Å²	25	43.6 Å²	43.6	15%	0.153	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	132.1	174.3	-56.8	0	0	0	0	109.6	L446 V447 S448 T467 W471	L446-T469 PolarHBondContact O-N 3.42Å; V447-T469 CarbonylContact C-O 3.54Å; V447-T469 VanDerWaalsContact CA-O 3.24Å; V447-T469 WeakPolarHBondContact CA-O 3.29Å; S448-T469 PolarHBondContact N-O 2.92Å; T467-T469 PolarHBondContact OG1-O 3.34Å; T469-W471 HydrophobicContact CG2-CD2 4.4Å; T469-W471 HydrophobicContact CG2-CZ2 4.14Å
470	V	98.8	Very high	98	Very high	43 Å²	43	39 Å²	39	26%	0.261	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	118	174.9	-171.3	0	0	0	0	108.8	S448 V450 L465 T467 I472	S448-V470 WeakPolarHBondContact O-CA 3.42Å; S448-V470 WeakPolarHBondContact OG-CG2 3.46Å; V450-V470 HydrophobicContact CG2-CG1 4.26Å; L465-V470 HydrophobicContact CB-CG2 4.32Å; L465-V470 HydrophobicContact CD1-CG1 4.11Å; T467-V470 WeakPolarHBondContact OG1-CG2 3.45Å; V470-I472 HydrophobicContact CG1-CD1 4.22Å
471	W	98.8	Very high	98	Very high	14 Å²	14	42.1 Å²	42.1	5%	0.053	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	141.6	173.1	-65	-56.3	0	0	0	111.5	T322 V447 S448 A449 V450 T469 C474 Y475 A477 M478	T322-W471 HydrophobicContact CG2-CH2 4Å; V447-W471 HydrophobicContact CB-CH2 4.15Å; V447-W471 HydrophobicContact CB-CZ3 3.92Å; V447-W471 HydrophobicContact CG1-CH2 3.96Å; V447-W471 HydrophobicContact CG1-CZ3 4.25Å; V447-W471 HydrophobicContact CG2-CH2 4.13Å; V447-W471 HydrophobicContact CG2-CZ3 3.71Å; S448-W471 PolarHBondContact O-N 2.96Å; A449-W471 CarbonylContact C-O 3.59Å; A449-W471 WeakPolarHBondContact CA-O 3.44Å; A449-W471 HydrophobicContact CB-CB 4.2Å; V450-W471 PolarHBondContact N-O 3.26Å; T469-W471 HydrophobicContact CG2-CD2 4.4Å; T469-W471 HydrophobicContact CG2-CZ2 4.14Å; W471-C474 VanDerWaalsContact CB-O 3.23Å; W471-C474 WeakPolarHBondContact CB-O 3.28Å; W471-Y475 HydrophobicContact CE3-CD1 4.14Å; W471-Y475 AromaticContact CE3-CD2 3.87Å; W471-Y475 HydrophobicContact CE3-CD2 3.87Å; W471-Y475 HydrophobicContact CE3-CE1 4.22Å; W471-Y475 AromaticContact CE3-CE2 3.9Å; W471-Y475 HydrophobicContact CE3-CE2 3.9Å; W471-Y475 AromaticContact CE3-CG 3.98Å; W471-Y475 HydrophobicContact CE3-CG 3.98Å; W471-Y475 AromaticContact CZ3-CD1 3.81Å; W471-Y475 HydrophobicContact CZ3-CD1 3.81Å; W471-Y475 HydrophobicContact CZ3-CD2 4.24Å; W471-Y475 AromaticContact CZ3-CE1 3.61Å; W471-Y475 HydrophobicContact CZ3-CE1 3.61Å; W471-Y475 HydrophobicContact CZ3-CE2 4.02Å; W471-Y475 HydrophobicContact CZ3-CG 4.14Å; W471-Y475 AromaticContact CZ3-CZ 3.72Å; W471-A477 PolarHBondContact NE1-O 2.92Å; W471-M478 HydrophobicContact CZ2-CG 4.2Å; W471-M478 HydrophobicContact CZ2-SD 3.81Å
472	I	98.8	Very high	98	Very high	59 Å²	59	45 Å²	45	30%	0.303	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	119.3	176	-54.5	-60	0	0	0	108.4	V450 A458 V470 C474	V450-I472 HydrophobicContact CB-CD1 3.78Å; V450-I472 HydrophobicContact CG2-CD1 4.17Å; V450-I472 CarbonylContact O-C 3.44Å; V450-I472 WeakPolarHBondContact O-CA 3.33Å; A458-I472 HydrophobicContact CB-CD1 4.17Å; A458-I472 HydrophobicContact CB-CG1 4.44Å; A458-I472 HydrophobicContact CB-CG2 3.81Å; V470-I472 HydrophobicContact CG1-CD1 4.22Å; I472-C474 PolarHBondContact O-N 3.06Å
473	N	98.5	Very high	98	Very high	57 Å²	57	45.7 Å²	45.7	31%	0.305	27%	0.274	S	S	.	.	S	Bend	trans	56.8	27.9	179.6	-61.2	-41.7	0	0	0	114.8	M304 V450 F451 T452	M304-N473 HydrophobicContact CE-CB 3.79Å; V450-N473 PolarHBondContact O-N 3.47Å; F451-N473 WeakPolarHBondContact CA-OD1 3.06Å; T452-N473 PolarHBondContact N-OD1 3.5Å; T452-N473 PolarHBondContact O-ND2 3.03Å; T452-N473 PolarHBondContact O-OD1 3.37Å; T452-N473 VanDerWaalsContact O-OD1 3.13Å
474	C	98.4	Very high	98	Very high	37 Å²	37	42.4 Å²	42.4	25%	0.25	24%	0.239	C	C	.	.			trans	-156.8	171.5	173.3	63.5	0	0	0	0	109.8	W471 I472	W471-C474 VanDerWaalsContact CB-O 3.23Å; W471-C474 WeakPolarHBondContact CB-O 3.28Å; I472-C474 PolarHBondContact O-N 3.06Å
475	Y	98.1	Very high	98	Very high	12 Å²	12	40.6 Å²	40.6	5%	0.047	22%	0.224	C	C	.	.	S	Bend	trans	-142.8	150.3	172.2	-149.7	-87.6	0	0	0	111.7	C294 E308 T322 A324 A449 W471 A477	C294-Y475 WeakPolarHBondContact SG-CE2 3.36Å; E308-Y475 WeakPolarHBondContact O-CB 3Å; E308-Y475 PolarHBondContact OE2-N 3.37Å; E308-Y475 VanDerWaalsContact OE2-N 3.13Å; T322-Y475 WeakPolarHBondContact O-CE1 3.4Å; T322-Y475 VanDerWaalsContact O-CZ 3.28Å; T322-Y475 PolarHBondContact O-OH 3.49Å; A324-Y475 WeakPolarHBondContact CA-OH 3.36Å; A324-Y475 HydrophobicContact CB-CE1 4.02Å; A324-Y475 HydrophobicContact CB-CE2 4.07Å; A324-Y475 PolarHBondContact N-OH 3.4Å; A449-Y475 HydrophobicContact CB-CD2 3.39Å; A449-Y475 HydrophobicContact CB-CE2 3.52Å; W471-Y475 HydrophobicContact CE3-CD1 4.14Å; W471-Y475 AromaticContact CE3-CD2 3.87Å; W471-Y475 HydrophobicContact CE3-CD2 3.87Å; W471-Y475 HydrophobicContact CE3-CE1 4.22Å; W471-Y475 AromaticContact CE3-CE2 3.9Å; W471-Y475 HydrophobicContact CE3-CE2 3.9Å; W471-Y475 AromaticContact CE3-CG 3.98Å; W471-Y475 HydrophobicContact CE3-CG 3.98Å; W471-Y475 AromaticContact CZ3-CD1 3.81Å; W471-Y475 HydrophobicContact CZ3-CD1 3.81Å; W471-Y475 HydrophobicContact CZ3-CD2 4.24Å; W471-Y475 AromaticContact CZ3-CE1 3.61Å; W471-Y475 HydrophobicContact CZ3-CE1 3.61Å; W471-Y475 HydrophobicContact CZ3-CE2 4.02Å; W471-Y475 HydrophobicContact CZ3-CG 4.14Å; W471-Y475 AromaticContact CZ3-CZ 3.72Å; Y475-A477 PolarHBondContact O-N 2.9Å; Y475-A477 VanDerWaalsContact O-N 3.13Å
476	N	95.9	Very high	98	Very high	39 Å²	39	40.2 Å²	40.2	21%	0.209	22%	0.223	C	C	.	.			trans	55.4	26.5	-178.3	-72.5	-18	0	0	0	114.6	T322 M478	T322-N476 WeakPolarHBondContact CB-OD1 3.45Å; T322-N476 PolarHBondContact OG1-OD1 3.31Å; N476-M478 PolarHBondContact O-N 3.21Å
477	A	96.1	Very high	98	Very high	34 Å²	34	41.6 Å²	41.6	28%	0.281	23%	0.225	S	C	.	.			trans	-76.6	73.4	174.9	0	0	0	0	0	110.3	W471 Y475	W471-A477 PolarHBondContact NE1-O 2.92Å; Y475-A477 PolarHBondContact O-N 2.9Å; Y475-A477 VanDerWaalsContact O-N 3.13Å
478	M	94.9	Very high	98	Very high	58 Å²	58	45 Å²	45	29%	0.286	24%	0.239	S	C	.	.			trans	-90.8	134.7	-178.6	-69.2	-65.1	-66.3	0	0	111	W189 W471 N476 F484 L496	W189-M478 HydrophobicContact CH2-CE 3.42Å; W189-M478 VanDerWaalsContact CH2-CE 3.42Å; W189-M478 HydrophobicContact CZ2-CE 4.01Å; W189-M478 HydrophobicContact CZ3-CE 4.33Å; W471-M478 HydrophobicContact CZ2-CG 4.2Å; W471-M478 HydrophobicContact CZ2-SD 3.81Å; N476-M478 PolarHBondContact O-N 3.21Å; M478-F484 HydrophobicContact CE-CB 3.6Å; M478-F484 HydrophobicContact CE-CD1 4.29Å; M478-F484 HydrophobicContact CE-CD2 3.23Å; M478-F484 HydrophobicContact CE-CE2 3.88Å; M478-F484 HydrophobicContact CE-CG 3.44Å; M478-F484 VanDerWaalsContact CE-CG 3.44Å; M478-F484 HydrophobicContact SD-CD2 3.5Å; M478-F484 VanDerWaalsContact SD-CD2 3.5Å; M478-F484 HydrophobicContact SD-CE2 3.85Å; M478-F484 HydrophobicContact SD-CG 4.32Å; M478-L496 HydrophobicContact CE-CD1 3.9Å
479	H	96.9	Very high	98	Very high	106 Å²	106	47 Å²	47	49%	0.491	24%	0.243	S	C	.	.			trans	-132.4	139.8	178.9	-62.9	-72.3	0	0	0	110.2	Q481 T482	H479-Q481 PolarHBondContact O-N 3.26Å; H479-Q481 VanDerWaalsContact O-N 3.13Å; H479-T482 HydrophobicContact CB-CG2 4.21Å; H479-T482 PolarHBondContact O-N 3.39Å; H479-T482 VanDerWaalsContact O-N 3.08Å; H479-T482 PolarHBondContact O-OG1 3.15Å
480	V	98.2	Very high	98	Very high	15 Å²	15	45.9 Å²	45.9	9%	0.091	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-22.6	-179.9	-62.2	0	0	0	0	112.6	K139 T140 Y143 G497	K139-V480 HydrophobicContact CB-CG1 3.95Å; T140-V480 WeakPolarHBondContact OG1-CG1 3.28Å; Y143-V480 HydrophobicContact CD1-CB 4.37Å; Y143-V480 WeakPolarHBondContact CD1-O 2.87Å; Y143-V480 HydrophobicContact CD2-CG2 3.92Å; Y143-V480 VanDerWaalsContact CE1-O 3.22Å; Y143-V480 WeakPolarHBondContact CE1-O 3.27Å; Y143-V480 HydrophobicContact CG-CB 4.07Å; Y143-V480 HydrophobicContact CG-CG2 3.82Å; V480-G497 WeakPolarHBondContact O-CA 3.48Å; V480-G497 PolarHBondContact O-N 3.42Å
481	Q	98.4	Very high	98	Very high	115 Å²	115	44 Å²	44	54%	0.537	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-23.7	178.4	-57.3	83.7	-9.8	0	0	113.3	Y143 H479 G497	Y143-Q481 HydrophobicContact CD2-CG 4.12Å; Y143-Q481 HydrophobicContact CE2-CB 4.13Å; Y143-Q481 HydrophobicContact CE2-CG 3.75Å; H479-Q481 PolarHBondContact O-N 3.26Å; H479-Q481 VanDerWaalsContact O-N 3.13Å; Q481-G497 VanDerWaalsContact O-CA 3.29Å; Q481-G497 WeakPolarHBondContact O-CA 3.36Å
482	T	98.2	Very high	98	Very high	61 Å²	61	46 Å²	46	37%	0.374	24%	0.237	S	C	.	.	S	Bend	trans	-98.8	135.1	-175.5	54.2	0	0	0	0	110	H479 L496	H479-T482 HydrophobicContact CB-CG2 4.21Å; H479-T482 PolarHBondContact O-N 3.39Å; H479-T482 VanDerWaalsContact O-N 3.08Å; H479-T482 PolarHBondContact O-OG1 3.15Å; T482-L496 VanDerWaalsContact O-CB 3.26Å; T482-L496 WeakPolarHBondContact O-CB 3.48Å
483	P	98.5	Very high	98	Very high	46 Å²	46	44.2 Å²	44.2	30%	0.299	23%	0.233	S	C	.	.			trans	-66.1	147.2	175.7	30.6	-36	0	0	0	110.8	R494 E495 Y499	P483-R494 HydrophobicContact CB-CB 4.15Å; P483-R494 HydrophobicContact CB-CG 4.34Å; P483-E495 CarbonylContact C-O 3.49Å; P483-E495 WeakPolarHBondContact CA-O 3.37Å; P483-Y499 HydrophobicContact CB-CD2 3.74Å; P483-Y499 HydrophobicContact CB-CG 4.15Å; P483-Y499 HydrophobicContact CG-CD2 3.61Å; P483-Y499 HydrophobicContact CG-CE2 3.96Å; P483-Y499 HydrophobicContact CG-CG 4.39Å
484	F	98.8	Very high	98	Very high	3 Å²	3	44.3 Å²	44.3	1%	0.013	23%	0.229	C	C	.	.	B	Isolated β-bridge	trans	-129.3	140.9	174.5	-179.9	-95.3	0	0	0	109.5	W189 E287 T322 L446 V447 M478 R494 E495	W189-F484 HydrophobicContact CH2-CD1 4.25Å; W189-F484 HydrophobicContact CH2-CG 4.45Å; W189-F484 HydrophobicContact CZ3-CB 4.49Å; W189-F484 AromaticContact CZ3-CD1 3.73Å; W189-F484 HydrophobicContact CZ3-CD1 3.73Å; W189-F484 HydrophobicContact CZ3-CE1 4.25Å; W189-F484 HydrophobicContact CZ3-CG 4.27Å; E287-F484 WeakPolarHBondContact OE2-CE1 3.38Å; T322-F484 HydrophobicContact CG2-CE2 3.66Å; T322-F484 HydrophobicContact CG2-CZ 3.62Å; L446-F484 HydrophobicContact CD1-CE1 3.93Å; L446-F484 HydrophobicContact CD1-CZ 3.81Å; L446-F484 HydrophobicContact CD2-CE1 4.46Å; L446-F484 HydrophobicContact CD2-CZ 3.96Å; L446-F484 HydrophobicContact CG-CE1 4.45Å; L446-F484 HydrophobicContact CG-CZ 3.88Å; V447-F484 HydrophobicContact CG1-CD2 4.49Å; V447-F484 HydrophobicContact CG1-CE2 3.58Å; V447-F484 HydrophobicContact CG1-CZ 4.23Å; M478-F484 HydrophobicContact CE-CB 3.6Å; M478-F484 HydrophobicContact CE-CD1 4.29Å; M478-F484 HydrophobicContact CE-CD2 3.23Å; M478-F484 HydrophobicContact CE-CE2 3.88Å; M478-F484 HydrophobicContact CE-CG 3.44Å; M478-F484 VanDerWaalsContact CE-CG 3.44Å; M478-F484 HydrophobicContact SD-CD2 3.5Å; M478-F484 VanDerWaalsContact SD-CD2 3.5Å; M478-F484 HydrophobicContact SD-CE2 3.85Å; M478-F484 HydrophobicContact SD-CG 4.32Å; F484-R494 CarbonylContact O-C 3.5Å; F484-R494 VanDerWaalsContact O-CA 3.31Å; F484-R494 WeakPolarHBondContact O-CA 3.21Å; F484-R494 WeakPolarHBondContact O-CD 3.47Å; F484-E495 PolarHBondContact N-O 3.01Å; F484-E495 PolarHBondContact O-N 3.29Å
485	G	98.4	Very high	98	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.219	C	C	.	.			trans	157.8	164	168.7	0	0	0	0	0	114.9	E287 G468 R494	E287-G485 VanDerWaalsContact CD-CA 3.49Å; E287-G485 WeakPolarHBondContact OE1-CA 3.48Å; E287-G485 VanDerWaalsContact OE2-CA 3.31Å; E287-G485 WeakPolarHBondContact OE2-CA 3.41Å; G468-G485 VanDerWaalsContact CA-O 3.27Å; G468-G485 WeakPolarHBondContact CA-O 3.39Å; G485-R494 VanDerWaalsContact O-CZ 3.25Å; G485-R494 PolarHBondContact O-NE 2.86Å; G485-R494 PolarHBondContact O-NH1 2.88Å
486	G	98.1	Very high	98	Very high	3 Å²	3	42.4 Å²	42.4	3%	0.031	22%	0.217	C	C	.	.			trans	-77.7	150.5	-166.3	0	0	0	0	0	116.6	R494	G486-R494 PolarHBondContact O-NH1 2.99Å; G486-R494 PolarHBondContact O-NH2 3.41Å
487	Y	98.5	Very high	98.2	Very high	113 Å²	113	40.5 Å²	40.5	44%	0.443	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	165	153.1	-85.3	46.8	0	0	0	109.9	G445 E466 M489 S490 R494	G445-Y487 WeakPolarHBondContact O-CB 3.45Å; G445-Y487 PolarHBondContact O-N 2.61Å; E466-Y487 HydrophobicContact CB-CD2 4.39Å; Y487-M489 PolarHBondContact O-N 3.14Å; Y487-S490 WeakPolarHBondContact O-CB 3.23Å; Y487-S490 PolarHBondContact O-N 2.8Å; Y487-R494 VanDerWaalsContact CD1-NH2 3.3Å; Y487-R494 VanDerWaalsContact CE1-NH2 3.3Å
488	K	98.5	Very high	98.3	Very high	83 Å²	83	44.5 Å²	44.5	36%	0.361	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	52.9	-128.3	172.6	-56.4	174.7	179.1	173.9	0	112	N440 S442 Q443 E466 S490	N440-K488 PolarHBondContact O-NZ 2.92Å; S442-K488 WeakPolarHBondContact O-CD 3.35Å; S442-K488 PolarHBondContact O-NZ 3.02Å; S442-K488 VanDerWaalsContact O-NZ 3.08Å; Q443-K488 WeakPolarHBondContact O-CB 3.36Å; E466-K488 WeakPolarHBondContact OE2-CE 3.23Å; E466-K488 IonicContact OE2-NZ 3.86Å; E466-K488 PolarHBondContact OE2-NZ 3.01Å; K488-S490 VanDerWaalsContact C-N 3.29Å; K488-S490 PolarHBondContact O-N 3.02Å
489	M	98.6	Very high	98.5	Very high	65 Å²	65	49.2 Å²	49.2	32%	0.32	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	1.6	178.8	-61.4	-172.1	69	0	0	113.6	T266 L288 Q443 Y487 G491	T266-M489 HydrophobicContact CG2-CB 4.12Å; T266-M489 HydrophobicContact CG2-CE 3.91Å; L288-M489 WeakPolarHBondContact CD1-O 3.49Å; Q443-M489 HydrophobicContact CB-CG 4.48Å; Q443-M489 HydrophobicContact CB-SD 4.02Å; Q443-M489 HydrophobicContact CG-SD 4.36Å; Q443-M489 WeakPolarHBondContact O-CB 3.45Å; Q443-M489 PolarHBondContact O-N 3.07Å; Y487-M489 PolarHBondContact O-N 3.14Å; M489-G491 VanDerWaalsContact C-N 3.29Å
490	S	98.8	Very high	98.6	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-7.4	176.2	-71	0	0	0	0	113.5	L288 G289 Y444 G445 L446 Y487 K488	L288-S490 WeakPolarHBondContact CA-O 3.35Å; L288-S490 WeakPolarHBondContact CB-O 3.5Å; L288-S490 PolarHBondContact N-O 3.4Å; G289-S490 WeakPolarHBondContact O-CB 3.37Å; G289-S490 PolarHBondContact O-OG 2.97Å; Y444-S490 WeakPolarHBondContact CA-OG 3.44Å; Y444-S490 WeakPolarHBondContact CB-OG 3.34Å; G445-S490 PolarHBondContact N-OG 3.19Å; L446-S490 PolarHBondContact N-OG 3.09Å; Y487-S490 WeakPolarHBondContact O-CB 3.23Å; Y487-S490 PolarHBondContact O-N 2.8Å; K488-S490 VanDerWaalsContact C-N 3.29Å; K488-S490 PolarHBondContact O-N 3.02Å
491	G	98.6	Very high	98.6	Very high	4 Å²	4	44 Å²	44	4%	0.041	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	161.6	173	174.4	0	0	0	0	0	115.7	L286 M489	L286-G491 CarbonylContact O-C 3.56Å; L286-G491 WeakPolarHBondContact O-CA 3.45Å; M489-G491 VanDerWaalsContact C-N 3.29Å
492	N	98.8	Very high	98.6	Very high	56 Å²	56	41.5 Å²	41.5	30%	0.299	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	127.7	173.4	-66	158.8	0	0	0	109.2	K273 T285 L286	K273-N492 PolarHBondContact NZ-OD1 3.39Å; T285-N492 CarbonylContact C-O 3.5Å; T285-N492 VanDerWaalsContact CA-O 3.28Å; T285-N492 WeakPolarHBondContact CA-O 3.22Å; T285-N492 WeakPolarHBondContact CB-O 3.09Å; L286-N492 PolarHBondContact N-O 3.35Å; L286-N492 PolarHBondContact O-N 2.95Å
493	G	98.5	Very high	98.6	Very high	21 Å²	21	40.8 Å²	40.8	22%	0.216	20%	0.202	C	C	.	.	S	Bend	trans	87.5	-172.9	-172.4	0	0	0	0	0	112.7	E503	G493-E503 VanDerWaalsContact CA-OE1 3.27Å; G493-E503 WeakPolarHBondContact CA-OE1 3.26Å
494	R	98.8	Very high	98.7	Very high	60 Å²	60	38.8 Å²	38.8	23%	0.226	19%	0.189	C	C	.	.			trans	-135.5	140.7	174.5	-65	-66	178.4	-96.5	5.4	110.2	P483 F484 G485 G486 Y487 A500	P483-R494 HydrophobicContact CB-CB 4.15Å; P483-R494 HydrophobicContact CB-CG 4.34Å; F484-R494 CarbonylContact O-C 3.5Å; F484-R494 VanDerWaalsContact O-CA 3.31Å; F484-R494 WeakPolarHBondContact O-CA 3.21Å; F484-R494 WeakPolarHBondContact O-CD 3.47Å; G485-R494 VanDerWaalsContact O-CZ 3.25Å; G485-R494 PolarHBondContact O-NE 2.86Å; G485-R494 PolarHBondContact O-NH1 2.88Å; G486-R494 PolarHBondContact O-NH1 2.99Å; G486-R494 PolarHBondContact O-NH2 3.41Å; Y487-R494 VanDerWaalsContact CD1-NH2 3.3Å; Y487-R494 VanDerWaalsContact CE1-NH2 3.3Å; R494-A500 WeakPolarHBondContact O-CA 3.49Å
495	E	98.8	Very high	98.6	Very high	5 Å²	5	39 Å²	39	2%	0.023	19%	0.19	C	C	.	.	B	Isolated β-bridge	trans	-101	168.2	165	-65.9	-171.1	149.2	0	0	109.9	W189 K190 E287 P483 F484	W189-E495 HydrophobicContact CE3-CB 4.22Å; K190-E495 IonicContact NZ-OE1 3.33Å; K190-E495 PolarHBondContact NZ-OE1 3.08Å; K190-E495 IonicContact NZ-OE2 2.66Å; E287-E495 HydrophobicContact CG-CG 4.14Å; P483-E495 CarbonylContact C-O 3.49Å; P483-E495 WeakPolarHBondContact CA-O 3.37Å; F484-E495 PolarHBondContact N-O 3.01Å; F484-E495 PolarHBondContact O-N 3.29Å
496	L	98.6	Very high	98.7	Very high	3 Å²	3	43.2 Å²	43.2	2%	0.016	21%	0.21	C	C	.	.	S	Bend	trans	58.6	173.1	-171.8	-58.6	-175.8	0	0	0	114.9	T140 Y144 W189 M478 T482 A500	T140-L496 HydrophobicContact CG2-CD2 4.33Å; Y144-L496 WeakPolarHBondContact OH-CA 3.4Å; Y144-L496 PolarHBondContact OH-N 3.38Å; W189-L496 HydrophobicContact CD2-CD1 4.22Å; W189-L496 HydrophobicContact CD2-CD2 3.89Å; W189-L496 HydrophobicContact CD2-CG 3.95Å; W189-L496 HydrophobicContact CE3-CD1 4.43Å; W189-L496 HydrophobicContact CE3-CG 4.15Å; W189-L496 HydrophobicContact CG-CD2 3.98Å; W189-L496 HydrophobicContact CH2-CD1 3.79Å; W189-L496 HydrophobicContact CH2-CG 4.38Å; W189-L496 HydrophobicContact CZ2-CD1 3.5Å; W189-L496 VanDerWaalsContact CZ2-CD1 3.5Å; W189-L496 HydrophobicContact CZ2-CD2 4.47Å; W189-L496 HydrophobicContact CZ2-CG 4.16Å; W189-L496 HydrophobicContact CZ3-CD1 4.22Å; W189-L496 HydrophobicContact CZ3-CG 4.36Å; M478-L496 HydrophobicContact CE-CD1 3.9Å; T482-L496 VanDerWaalsContact O-CB 3.26Å; T482-L496 WeakPolarHBondContact O-CB 3.48Å; L496-A500 WeakPolarHBondContact O-CB 3.13Å; L496-A500 PolarHBondContact O-N 3.08Å
497	G	98.6	Very high	98.7	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.5	-170.8	-178.9	0	0	0	0	0	113.8	Y143 Y144 V480 Q481 Y499	Y143-G497 WeakPolarHBondContact OH-CA 3.47Å; Y144-G497 PolarHBondContact OH-O 2.85Å; V480-G497 WeakPolarHBondContact O-CA 3.48Å; V480-G497 PolarHBondContact O-N 3.42Å; Q481-G497 VanDerWaalsContact O-CA 3.29Å; Q481-G497 WeakPolarHBondContact O-CA 3.36Å; G497-Y499 VanDerWaalsContact C-N 3.31Å
498	E	98.8	Very high	98.7	Very high	118 Å²	118	46.4 Å²	46.4	55%	0.551	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-34.2	173.4	-177.3	178.8	167.8	0	0	111.8	Y143 W147 A500 L501	Y143-E498 PolarHBondContact OH-N 3.2Å; W147-E498 HydrophobicContact CH2-CB 3.9Å; W147-E498 VanDerWaalsContact CH2-CD 3.46Å; W147-E498 HydrophobicContact CH2-CG 3.51Å; W147-E498 HydrophobicContact CZ2-CB 3.73Å; W147-E498 HydrophobicContact CZ2-CG 3.87Å; W147-E498 HydrophobicContact CZ3-CG 4.01Å; E498-A500 VanDerWaalsContact C-N 3.26Å; E498-A500 PolarHBondContact O-N 3.37Å; E498-L501 HydrophobicContact CG-CD1 4.31Å; E498-L501 VanDerWaalsContact O-CB 3.26Å; E498-L501 WeakPolarHBondContact O-CB 3.44Å; E498-L501 WeakPolarHBondContact O-CG 3.35Å; E498-L501 PolarHBondContact O-N 3.12Å
499	Y	98.7	Very high	98.7	Very high	157 Å²	157	46.8 Å²	46.8	62%	0.616	24%	0.242	S	C	*	.	G	3₁₀ helix	trans	-59	-33.2	-174.2	-68.1	-91.3	0	0	0	113.7	P483 G497 L501 A502	P483-Y499 HydrophobicContact CB-CD2 3.74Å; P483-Y499 HydrophobicContact CB-CG 4.15Å; P483-Y499 HydrophobicContact CG-CD2 3.61Å; P483-Y499 HydrophobicContact CG-CE2 3.96Å; P483-Y499 HydrophobicContact CG-CG 4.39Å; G497-Y499 VanDerWaalsContact C-N 3.31Å; Y499-L501 PolarHBondContact O-N 3.3Å; Y499-A502 WeakPolarHBondContact O-CB 3.45Å; Y499-A502 PolarHBondContact O-N 3.38Å
500	A	98.8	Very high	98.7	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-60.5	-27.4	176.6	0	0	0	0	0	113.3	Y144 P193 R494 L496 E498 A502 E503 Y504	Y144-A500 WeakPolarHBondContact OH-CB 3.1Å; P193-A500 HydrophobicContact CB-CB 4.38Å; R494-A500 WeakPolarHBondContact O-CA 3.49Å; L496-A500 WeakPolarHBondContact O-CB 3.13Å; L496-A500 PolarHBondContact O-N 3.08Å; E498-A500 VanDerWaalsContact C-N 3.26Å; E498-A500 PolarHBondContact O-N 3.37Å; A500-A502 PolarHBondContact O-N 3.44Å; A500-E503 WeakPolarHBondContact O-CB 3.14Å; A500-E503 PolarHBondContact O-N 3.01Å; A500-Y504 VanDerWaalsContact O-CD2 3.31Å; A500-Y504 WeakPolarHBondContact O-CD2 3.39Å
501	L	98.8	Very high	98.7	Very high	10 Å²	10	49.2 Å²	49.2	5%	0.052	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-64	-32.4	-178.8	-59.8	171.4	0	0	0	112	Y144 W147 I151 E498 Y499 E503 Y504 S505	Y144-L501 HydrophobicContact CD1-CD2 3.83Å; Y144-L501 HydrophobicContact CE1-CD2 3.81Å; Y144-L501 HydrophobicContact CE1-CG 4.26Å; W147-L501 HydrophobicContact CB-CD1 4.05Å; W147-L501 HydrophobicContact CB-CD2 4.3Å; W147-L501 HydrophobicContact CD2-CD1 3.54Å; W147-L501 HydrophobicContact CE3-CD1 3.5Å; W147-L501 VanDerWaalsContact CE3-CD1 3.5Å; W147-L501 HydrophobicContact CG-CD1 3.79Å; W147-L501 HydrophobicContact CZ3-CD1 4.15Å; I151-L501 HydrophobicContact CD1-CD2 4.32Å; I151-L501 HydrophobicContact CG1-CD1 4.15Å; I151-L501 HydrophobicContact CG1-CD2 4.48Å; E498-L501 HydrophobicContact CG-CD1 4.31Å; E498-L501 VanDerWaalsContact O-CB 3.26Å; E498-L501 WeakPolarHBondContact O-CB 3.44Å; E498-L501 WeakPolarHBondContact O-CG 3.35Å; E498-L501 PolarHBondContact O-N 3.12Å; Y499-L501 PolarHBondContact O-N 3.3Å; L501-E503 PolarHBondContact O-N 3.18Å; L501-Y504 CarbonylContact O-C 3.55Å; L501-Y504 PolarHBondContact O-N 3.06Å; L501-Y504 VanDerWaalsContact O-N 3.15Å; L501-S505 WeakPolarHBondContact O-CB 3.46Å; L501-S505 PolarHBondContact O-N 3.11Å; L501-S505 VanDerWaalsContact O-N 3.15Å; L501-S505 PolarHBondContact O-OG 2.84Å
502	A	98.6	Very high	98.6	Very high	63 Å²	63	53.9 Å²	53.9	52%	0.521	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-63.7	-33.7	175.2	0	0	0	0	0	111.6	R283 Y499 A500 Y504 S505	R283-A502 PolarHBondContact NH2-O 2.82Å; Y499-A502 WeakPolarHBondContact O-CB 3.45Å; Y499-A502 PolarHBondContact O-N 3.38Å; A500-A502 PolarHBondContact O-N 3.44Å; A502-Y504 PolarHBondContact O-N 2.74Å; A502-S505 PolarHBondContact O-N 2.88Å
503	E	98.8	Very high	98.5	Very high	47 Å²	47	58.1 Å²	58.1	22%	0.22	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-72	-14.1	178.1	-56.7	-58.9	172	0	0	113.4	I171 K259 R283 T285 G493 A500 L501	I171-E503 WeakPolarHBondContact CD1-O 3.41Å; K259-E503 WeakPolarHBondContact CD-O 3.49Å; K259-E503 WeakPolarHBondContact CE-O 3.45Å; K259-E503 PolarHBondContact NZ-O 3.23Å; R283-E503 IonicContact NH2-OE2 2.81Å; T285-E503 HydrophobicContact CG2-CB 3.91Å; T285-E503 HydrophobicContact CG2-CG 3.78Å; T285-E503 VanDerWaalsContact CG2-OE2 3.28Å; T285-E503 WeakPolarHBondContact CG2-OE2 3.46Å; G493-E503 VanDerWaalsContact CA-OE1 3.27Å; G493-E503 WeakPolarHBondContact CA-OE1 3.26Å; A500-E503 WeakPolarHBondContact O-CB 3.14Å; A500-E503 PolarHBondContact O-N 3.01Å; L501-E503 PolarHBondContact O-N 3.18Å
504	Y	98.9	Very high	98.2	Very high	4 Å²	4	61.4 Å²	61.4	2%	0.016	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-117.8	11.5	179.9	-69.8	-74	0	0	0	113.4	C174 P193 A194 C197 N199 K259 A261 A500 L501 A502	C174-Y504 HydrophobicContact CB-CE1 4.37Å; P193-Y504 HydrophobicContact CB-CD2 3.76Å; P193-Y504 HydrophobicContact CB-CE2 3.94Å; P193-Y504 HydrophobicContact CG-CD2 4.02Å; P193-Y504 HydrophobicContact CG-CE2 3.66Å; A194-Y504 HydrophobicContact CB-CD1 3.62Å; A194-Y504 HydrophobicContact CB-CE1 3.61Å; A194-Y504 HydrophobicContact CB-CG 4.22Å; C197-Y504 WeakPolarHBondContact CB-O 3.42Å; N199-Y504 PolarHBondContact ND2-O 2.96Å; K259-Y504 HydrophobicContact CD-CD1 3.95Å; K259-Y504 HydrophobicContact CD-CE1 4.03Å; K259-Y504 VanDerWaalsContact CE-CE1 3.41Å; A261-Y504 WeakPolarHBondContact CB-OH 3.48Å; A500-Y504 VanDerWaalsContact O-CD2 3.31Å; A500-Y504 WeakPolarHBondContact O-CD2 3.39Å; L501-Y504 CarbonylContact O-C 3.55Å; L501-Y504 PolarHBondContact O-N 3.06Å; L501-Y504 VanDerWaalsContact O-N 3.15Å; A502-Y504 PolarHBondContact O-N 2.74Å
505	S	98.8	Very high	97.6	Very high	6 Å²	6	64.5 Å²	64.5	4%	0.042	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	141.7	178.5	-51.6	0	0	0	0	111.6	E169 R283 L501 A502	E169-S505 CarbonylContact O-C 3.48Å; E169-S505 VanDerWaalsContact O-CA 3.24Å; E169-S505 WeakPolarHBondContact O-CA 3.35Å; R283-S505 PolarHBondContact NH1-O 2.86Å; L501-S505 WeakPolarHBondContact O-CB 3.46Å; L501-S505 PolarHBondContact O-N 3.11Å; L501-S505 VanDerWaalsContact O-N 3.15Å; L501-S505 PolarHBondContact O-OG 2.84Å; A502-S505 PolarHBondContact O-N 2.88Å
506	E	98.7	Very high	96	Very high	89 Å²	89	72 Å²	72	42%	0.416	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	127.3	173.3	-159.6	56.9	-117.7	0	0	109.7	E169 I171 R283	E169-E506 PolarHBondContact N-O 2.93Å; E169-E506 PolarHBondContact O-N 2.69Å; I171-E506 HydrophobicContact CG1-CB 4.32Å; R283-E506 WeakPolarHBondContact CD-OE2 3.41Å; R283-E506 IonicContact CZ-OE2 2.81Å; R283-E506 IonicContact NH1-OE2 2.75Å; R283-E506 PolarHBondContact NH1-OE2 3.22Å
507	V	98.8	Very high	94	Very high	87 Å²	87	77.3 Å²	77.3	53%	0.527	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	124.1	-176.4	-177.6	0	0	0	0	109.1	T166 R167 L168	T166-V507 HydrophobicContact CG2-CG1 4.3Å; R167-V507 WeakPolarHBondContact O-CA 3.45Å; L168-V507 HydrophobicContact CD2-CB 4.35Å; L168-V507 HydrophobicContact CD2-CG2 3.61Å
508	K	98.8	Very high	91.6	Very high	96 Å²	96	89.9 Å²	89.9	42%	0.417	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	122	172	-177.7	-177.8	-64.2	163.6	0	110.5	T166 R167 E169 V510	T166-K508 CarbonylContact C-O 3.56Å; T166-K508 VanDerWaalsContact CA-O 3.28Å; T166-K508 WeakPolarHBondContact CA-O 3.34Å; R167-K508 HydrophobicContact CB-CB 4.45Å; R167-K508 PolarHBondContact N-O 2.97Å; R167-K508 PolarHBondContact O-N 3.29Å; E169-K508 IonicContact OE1-NZ 2.95Å; E169-K508 PolarHBondContact OE1-NZ 3.07Å; E169-K508 WeakPolarHBondContact OE2-CE 3.4Å; E169-K508 IonicContact OE2-NZ 3.54Å; E169-K508 PolarHBondContact OE2-NZ 3.21Å; K508-V510 HydrophobicContact CG-CG2 4.45Å
509	T	98.8	Very high	91.3	Very high	91 Å²	91	88.5 Å²	88.5	56%	0.558	46%	0.463	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.8	132.4	170.5	-56.5	0	0	0	0	110
510	V	98.5	Very high	90.9	Very high	44 Å²	44	84.9 Å²	84.9	27%	0.267	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	120.8	173.6	-173.2	0	0	0	0	107.8	L165 K508 F512	L165-V510 PolarHBondContact N-O 3.36Å; L165-V510 PolarHBondContact O-N 3.09Å; K508-V510 HydrophobicContact CG-CG2 4.45Å; V510-F512 HydrophobicContact CB-CE2 4.37Å; V510-F512 HydrophobicContact CG1-CD2 4.27Å; V510-F512 HydrophobicContact CG1-CE1 4.37Å; V510-F512 HydrophobicContact CG1-CE2 3.52Å; V510-F512 HydrophobicContact CG1-CZ 3.59Å
511	T	97.9	Very high	90.4	Very high	73 Å²	73	89.6 Å²	89.6	45%	0.448	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	121.2	-177.6	-61.5	0	0	0	0	109.3	F162 L163 C164	F162-T511 HydrophobicContact CB-CG2 3.98Å; F162-T511 HydrophobicContact CD1-CG2 3.59Å; F162-T511 HydrophobicContact CE1-CG2 4.38Å; F162-T511 HydrophobicContact CG-CG2 3.99Å; L163-T511 WeakPolarHBondContact O-CA 3.33Å; C164-T511 VanDerWaalsContact SG-CG2 3.57Å; C164-T511 PolarHBondContact SG-OG1 3.1Å
512	F	97	Very high	90	Very high	102 Å²	102	94.3 Å²	94.3	45%	0.447	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	125.6	173.7	-57.8	-90.8	0	0	0	108.4	F162 L163 L165 V510 M514	F162-F512 VanDerWaalsContact CA-O 3.3Å; F162-F512 WeakPolarHBondContact CA-O 3.29Å; L163-F512 HydrophobicContact CB-CB 4.29Å; L163-F512 HydrophobicContact CB-CD2 4.5Å; L163-F512 HydrophobicContact CD2-CD2 4.18Å; L163-F512 HydrophobicContact CG-CD2 4.29Å; L163-F512 PolarHBondContact N-O 2.79Å; L163-F512 PolarHBondContact O-N 2.79Å; L165-F512 HydrophobicContact CD1-CE2 4.36Å; V510-F512 HydrophobicContact CB-CE2 4.37Å; V510-F512 HydrophobicContact CG1-CD2 4.27Å; V510-F512 HydrophobicContact CG1-CE1 4.37Å; V510-F512 HydrophobicContact CG1-CE2 3.52Å; V510-F512 HydrophobicContact CG1-CZ 3.59Å; F512-M514 HydrophobicContact CB-SD 4.5Å; F512-M514 PolarHBondContact O-N 3.13Å
513	K	96	Very high	89.4	Confident	144 Å²	144	96.3 Å²	96.3	63%	0.626	50%	0.504	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.9	123.1	164.5	-176.6	175.7	177.9	178.5	0	108.1	F162	F162-K513 HydrophobicContact CD1-CB 4.17Å; F162-K513 HydrophobicContact CE1-CB 3.92Å; F162-K513 HydrophobicContact CE1-CG 4.12Å
514	M	93.4	Very high	88.8	Confident	91 Å²	91	99.5 Å²	99.5	45%	0.448	52%	0.523	S	S	.	.	P	Polyproline II helix	trans	-84.5	124.6	171.4	-54.6	-56.6	-69.5	0	0	107	T161 L163 F512	T161-M514 PolarHBondContact O-N 3.28Å; L163-M514 HydrophobicContact CB-CG 4.28Å; L163-M514 HydrophobicContact CB-SD 3.71Å; F512-M514 HydrophobicContact CB-SD 4.5Å; F512-M514 PolarHBondContact O-N 3.13Å
515	N	84.8	Confident	88.1	Confident	124 Å²	124	106.4 Å²	106.4	66%	0.663	56%	0.56	S	S	*	*	P	Polyproline II helix	trans	-90.2	123.1	170	-69.9	-24.6	0	0	0	107.1	S517	N515-S517 PolarHBondContact O-N 3.49Å
516	D	67	Low	87.2	Confident	163 Å²	163	114.1 Å²	114.1	87%	0.872	60%	0.6	S	S	*	*			trans	-53.4	111.6	171.1	-73.2	-29.2	0	0	0	109.2
517	S	56.4	Low	86.3	Confident	115 Å²	115	116.2 Å²	116.2	80%	0.804	62%	0.615	S	S	*	*			trans	-131	68.1	158.5	35	0	0	0	0	106.4	N515	N515-S517 PolarHBondContact O-N 3.49Å
518	M	48.2	Very low	85.2	Confident	264 Å²	264	118.8 Å²	118.8	100%	1.3	62%	0.623	S	S	*	*			trans	-111.1	0	150.8	-75.3	-157	-135.2	0	0	108.7

Retrieved 518 of 518 residues in 1349.4 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).