A0A096NR51_PAPAN Loading...

procollagen-lysine 5-dioxygenase

AlphaFold DB , UniProt , Accession A0A096NR51, Species PAPAN (Papio anubis, Olive baboon), Gene PLOD3, Length 737 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	35.7	Very low	34.8	Very low	236 Å²	236	162.7 Å²	162.7	100%	1.163	88%	0.879	S	S	*	*				0	107.9	0	-78.3	171.5	-177.5	0	0	108.1
2	T	33	Very low	34.6	Very low	131 Å²	131	161.3 Å²	161.3	80%	0.804	87%	0.869	S	S	*	*			trans	29.2	125.5	148.5	50.7	0	0	0	0	121.7
3	S	31.5	Very low	34.3	Very low	120 Å²	120	162.6 Å²	162.6	84%	0.839	87%	0.874	S	S	*	*			trans	72.9	100.4	150	70.2	0	0	0	0	119.9
4	S	30.8	Very low	34.1	Very low	117 Å²	117	161.5 Å²	161.5	82%	0.818	87%	0.866	S	S	*	*			trans	-68.7	137.9	168	37.2	0	0	0	0	113.3
5	R	39.6	Very low	34	Very low	240 Å²	240	162.1 Å²	162.1	91%	0.906	87%	0.868	S	S	*	*			trans	-68.1	156.7	156.3	-72.7	178.2	172.1	-179	-2.8	110.4
6	P	43.3	Very low	33.9	Very low	129 Å²	129	162.8 Å²	162.8	84%	0.838	87%	0.87	S	S	*	*				-140.9	162.1	103.1	27.6	-8	0	0	0	111.2
7	G	30.4	Very low	34	Very low	72 Å²	72	162.5 Å²	162.5	74%	0.742	87%	0.868	S	S	*	*			cis	119.3	99.2	27.8	0	0	0	0	0	108	R9	G7-R9 PolarHBondContact O-N 2.94Å
8	L	38.2	Very low	34	Very low	183 Å²	183	159.7 Å²	159.7	96%	0.958	86%	0.86	S	S	*	*			trans	-69	119.3	172.6	-158.7	88.4	0	0	0	109
9	R	30.2	Very low	33.9	Very low	236 Å²	236	157.9 Å²	157.9	89%	0.891	86%	0.858	S	S	*	*			trans	-144.3	122.9	162.1	-84.5	-164.9	175.3	-177.3	-1.4	112.1	G7	G7-R9 PolarHBondContact O-N 2.94Å
10	L	38.9	Very low	34.1	Very low	173 Å²	173	155.5 Å²	155.5	91%	0.906	86%	0.86	S	S	*	*			trans	-56.2	130	163.3	-157.9	84	0	0	0	110.3
11	L	31.2	Very low	34	Very low	153 Å²	153	152.7 Å²	152.7	80%	0.801	86%	0.857	S	S	*	*			trans	-150.1	132.8	162.1	-124.3	112.1	0	0	0	112.5
12	L	32.3	Very low	33.7	Very low	145 Å²	145	146.3 Å²	146.3	76%	0.759	84%	0.836	S	S	*	*			trans	-35.6	131.7	179.1	-78.2	69.7	0	0	0	116.4	L14	L12-L14 PolarHBondContact O-N 3.25Å
13	L	31.1	Very low	33.8	Very low	179 Å²	179	145.4 Å²	145.4	94%	0.937	84%	0.842	S	S	*	*			trans	-80	107.9	153.8	-98.6	98.9	0	0	0	109.4
14	L	31.2	Very low	34.1	Very low	147 Å²	147	143.9 Å²	143.9	77%	0.77	83%	0.831	S	S	*	*			trans	-81.2	123.8	161.9	-94.8	118.9	0	0	0	109.4	L12 L16	L12-L14 PolarHBondContact O-N 3.25Å; L14-L16 PolarHBondContact O-N 3.5Å
15	L	33.2	Very low	34.2	Very low	171 Å²	171	146.3 Å²	146.3	90%	0.895	84%	0.835	S	S	*	*			trans	-62.9	110.2	165.9	-80.5	139	0	0	0	109.8
16	L	32.1	Very low	33.7	Very low	172 Å²	172	146.2 Å²	146.2	90%	0.901	83%	0.834	S	S	*	*			trans	-87.1	107.4	166.2	-81.5	159.3	0	0	0	108.9	L14	L14-L16 PolarHBondContact O-N 3.5Å
17	L	34.8	Very low	33.4	Very low	158 Å²	158	146.1 Å²	146.1	83%	0.827	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-66.4	138.3	165	-79.2	153.1	0	0	0	110
18	P	34.2	Very low	33.7	Very low	112 Å²	112	154 Å²	154	73%	0.727	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-75.1	154.7	165.5	20.2	-11.2	0	0	0	110.9
19	P	31.6	Very low	33.8	Very low	127 Å²	127	149.2 Å²	149.2	83%	0.825	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-70.3	142.9	-175.4	10.1	0.8	0	0	0	111.4	A21	P19-A21 PolarHBondContact O-N 3.08Å
20	A	39.8	Very low	35	Very low	108 Å²	108	147.9 Å²	147.9	89%	0.893	83%	0.831	S	S	*	*			trans	-59	107.4	173.1	0	0	0	0	0	110.7
21	A	31.6	Very low	35.9	Very low	97 Å²	97	146.8 Å²	146.8	80%	0.802	83%	0.826	S	S	*	*			trans	-81.3	134.8	163.2	0	0	0	0	0	109.1	P19	P19-A21 PolarHBondContact O-N 3.08Å
22	S	28.3	Very low	38	Very low	102 Å²	102	145.4 Å²	145.4	71%	0.713	83%	0.826	S	S	*	*			trans	-48.1	129.1	-173.5	51.6	0	0	0	0	114.4	S24	S22-S24 VanDerWaalsContact C-N 3.33Å; S22-S24 PolarHBondContact O-N 3.22Å
23	A	34.6	Very low	40.5	Very low	113 Å²	113	140.8 Å²	140.8	93%	0.934	80%	0.804	S	S	*	*			trans	-71.3	83.8	165.3	0	0	0	0	0	110.5
24	S	38.4	Very low	43.3	Very low	88 Å²	88	135.5 Å²	135.5	62%	0.615	78%	0.777	S	S	*	*			trans	-158.6	77.4	162.2	61.9	0	0	0	0	110.2	S22	S22-S24 VanDerWaalsContact C-N 3.33Å; S22-S24 PolarHBondContact O-N 3.22Å
25	D	33.1	Very low	46.2	Very low	167 Å²	167	131.1 Å²	131.1	89%	0.893	76%	0.757	S	S	*	*			trans	172.3	78.3	140.4	-91.9	-17.9	0	0	0	109.6
26	R	29.2	Very low	49	Very low	238 Å²	238	130.8 Å²	130.8	90%	0.898	75%	0.751	S	S	*	*	P	Polyproline II helix	trans	-82.6	126.4	156.8	-75.1	-177.1	176.9	-175.6	-0.8	106.8	R28	R26-R28 PolarHBondContact O-N 3.24Å; R26-R28 VanDerWaalsContact O-N 3.14Å
27	P	36.6	Very low	52	Low	127 Å²	127	126.1 Å²	126.1	83%	0.825	72%	0.723	S	S	*	*	P	Polyproline II helix	trans	-59.6	123.6	163	-9.4	23.2	0	0	0	107	G29	P27-G29 PolarHBondContact O-N 3.1Å
28	R	37.9	Very low	55	Low	239 Å²	239	119 Å²	119	90%	0.902	69%	0.686	S	S	*	*	P	Polyproline II helix	trans	-49.1	130.7	178.5	-73.8	176.4	176.2	175.7	-1.7	110	R26 R30	R26-R28 PolarHBondContact O-N 3.24Å; R26-R28 VanDerWaalsContact O-N 3.14Å; R28-R30 PolarHBondContact O-N 3.36Å
29	G	38.8	Very low	58.1	Low	82 Å²	82	114.6 Å²	114.6	85%	0.845	66%	0.656	S	S	*	*	P	Polyproline II helix	trans	-52.2	122.8	175.8	0	0	0	0	0	111.5	P27	P27-G29 PolarHBondContact O-N 3.1Å
30	R	55.3	Low	61.3	Low	208 Å²	208	108.5 Å²	108.5	79%	0.785	62%	0.617	S	S	*	*	P	Polyproline II helix	trans	-102.5	130.6	150.3	-73.4	-178.2	175.8	176.7	-0.8	105.5	R28	R28-R30 PolarHBondContact O-N 3.36Å
31	D	59.1	Low	64.1	Low	149 Å²	149	103.4 Å²	103.4	80%	0.797	57%	0.574	S	S	*	*	P	Polyproline II helix	trans	-52.4	147.7	172.8	-67.4	-44.9	0	0	0	110.2	V33	D31-V33 PolarHBondContact O-N 3.12Å
32	P	75.3	Confident	67.3	Low	124 Å²	124	98.8 Å²	98.8	81%	0.805	54%	0.536	S	S	*	.	P	Polyproline II helix	trans	-56.9	125.9	176.4	23.6	-31.7	0	0	0	109.3	N34	P32-N34 PolarHBondContact O-N 2.74Å
33	V	84.5	Confident	70.6	Confident	49 Å²	49	94.4 Å²	94.4	30%	0.297	51%	0.505	S	S	.	.	P	Polyproline II helix	trans	-59.7	126.9	178.1	-176.7	0	0	0	0	108.8	D31 P35 I106 L125 V129	D31-V33 PolarHBondContact O-N 3.12Å; V33-P35 WeakPolarHBondContact O-CD 3.47Å; V33-I106 HydrophobicContact CG1-CD1 3.9Å; V33-L125 HydrophobicContact CB-CB 4.41Å; V33-L125 HydrophobicContact CB-CD1 4.22Å; V33-L125 HydrophobicContact CG1-CD1 4.08Å; V33-L125 HydrophobicContact CG1-CD2 4.27Å; V33-V129 HydrophobicContact CG2-CG2 3.69Å
34	N	90.1	Very high	73.6	Confident	68 Å²	68	89 Å²	89	36%	0.364	46%	0.461	S	S	.	.	P	Polyproline II helix	trans	-62.9	121.6	179.4	-179.2	-1.5	0	0	0	110	P32 E36 K37	P32-N34 PolarHBondContact O-N 2.74Å; N34-E36 PolarHBondContact ND2-OE2 3.43Å; N34-E36 PolarHBondContact O-N 3.26Å; N34-E36 VanDerWaalsContact O-N 3.13Å; N34-E36 WeakPolarHBondContact OD1-CB 3.47Å; N34-E36 WeakPolarHBondContact OD1-CG 3.48Å; N34-E36 PolarHBondContact OD1-N 3.22Å; N34-K37 HydrophobicContact CB-CG 4.22Å; N34-K37 WeakPolarHBondContact O-CB 3.42Å; N34-K37 PolarHBondContact O-N 3.22Å
35	P	92.1	Very high	76.4	Confident	54 Å²	54	86.1 Å²	86.1	35%	0.351	44%	0.439	S	S	.	.	G	3₁₀ helix	trans	-54.3	-26.6	175.1	-28.4	37.4	0	0	0	115.1	V33 K37 L38 P121	V33-P35 WeakPolarHBondContact O-CD 3.47Å; P35-K37 PolarHBondContact O-N 3.23Å; P35-K37 VanDerWaalsContact O-N 3.15Å; P35-L38 WeakPolarHBondContact O-CB 3.16Å; P35-L38 PolarHBondContact O-N 2.95Å; P35-P121 HydrophobicContact CB-CB 4.15Å
36	E	92.3	Very high	79.4	Confident	164 Å²	164	80.5 Å²	80.5	77%	0.766	42%	0.416	S	S	*	.	G	3₁₀ helix	trans	-65.1	-14.8	175.5	-62.6	176.8	155.7	0	0	113.4	N34	N34-E36 PolarHBondContact ND2-OE2 3.43Å; N34-E36 PolarHBondContact O-N 3.26Å; N34-E36 VanDerWaalsContact O-N 3.13Å; N34-E36 WeakPolarHBondContact OD1-CB 3.47Å; N34-E36 WeakPolarHBondContact OD1-CG 3.48Å; N34-E36 PolarHBondContact OD1-N 3.22Å
37	K	94.5	Very high	82.6	Confident	75 Å²	75	75.3 Å²	75.3	33%	0.326	40%	0.402	S	S	.	.	G	3₁₀ helix	trans	-90.1	-1.7	175.3	-60.4	-64.9	-176.3	173.7	0	113.2	N34 P35 D104 I106	N34-K37 HydrophobicContact CB-CG 4.22Å; N34-K37 WeakPolarHBondContact O-CB 3.42Å; N34-K37 PolarHBondContact O-N 3.22Å; P35-K37 PolarHBondContact O-N 3.23Å; P35-K37 VanDerWaalsContact O-N 3.15Å; K37-D104 WeakPolarHBondContact CB-O 3.27Å; K37-D104 WeakPolarHBondContact CD-OD2 3.37Å; K37-D104 WeakPolarHBondContact CE-OD2 3.36Å; K37-D104 IonicContact NZ-OD2 3.74Å; K37-D104 PolarHBondContact NZ-OD2 2.84Å; K37-I106 PolarHBondContact O-N 2.73Å
38	L	98.1	Very high	85.5	Confident	8 Å²	8	70.9 Å²	70.9	4%	0.042	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	129	174.1	177.8	68.5	0	0	0	110.5	P35 Y63 I106 M108 P121 L124 L125 I169	P35-L38 WeakPolarHBondContact O-CB 3.16Å; P35-L38 PolarHBondContact O-N 2.95Å; L38-Y63 HydrophobicContact CD2-CD1 3.88Å; L38-Y63 HydrophobicContact CD2-CE1 3.62Å; L38-I106 WeakPolarHBondContact CA-O 3.43Å; L38-I106 HydrophobicContact CD1-CB 4.39Å; L38-I106 HydrophobicContact CD1-CG2 3.9Å; L38-M108 HydrophobicContact CD1-CB 4.41Å; L38-P121 HydrophobicContact CD2-CB 3.97Å; L38-L124 HydrophobicContact CD1-CD2 4.42Å; L38-L124 HydrophobicContact CD2-CD2 3.76Å; L38-L125 HydrophobicContact CB-CD1 4.29Å; L38-L125 HydrophobicContact CB-CD2 4.37Å; L38-L125 HydrophobicContact CD1-CD2 4.25Å; L38-I169 HydrophobicContact CD1-CD1 4.28Å
39	L	98.6	Very high	88.3	Confident	19 Å²	19	60.5 Å²	60.5	10%	0.099	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	125.4	169.5	178.9	61.1	0	0	0	109.8	M41 T64 R66 Y99 M105 I106 I107 M108	L39-M41 HydrophobicContact CD2-CE 3.5Å; L39-M41 HydrophobicContact CD2-CG 4.4Å; L39-M41 HydrophobicContact CG-CE 4.33Å; L39-M41 HydrophobicContact CG-CG 4.29Å; L39-T64 HydrophobicContact CD1-CG2 3.93Å; L39-R66 HydrophobicContact CD1-CB 4.02Å; L39-R66 HydrophobicContact CG-CB 4.49Å; L39-Y99 HydrophobicContact CD2-CE2 4.41Å; L39-M105 HydrophobicContact CB-CE 4.26Å; L39-M105 HydrophobicContact CD2-CE 4.35Å; L39-I106 PolarHBondContact N-O 3.17Å; L39-I107 HydrophobicContact CB-CG1 4.33Å; L39-I107 VanDerWaalsContact O-CA 3.32Å; L39-I107 WeakPolarHBondContact O-CA 3.32Å; L39-M108 PolarHBondContact O-N 2.71Å
40	V	98.8	Very high	91.1	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	123.8	170.8	-178.7	0	0	0	0	108.2	F54 Y63 T64 V65 R66 M108 V110	V40-F54 HydrophobicContact CG1-CZ 4.12Å; V40-Y63 HydrophobicContact CG2-CD1 3.47Å; V40-Y63 VanDerWaalsContact CG2-CD1 3.47Å; V40-Y63 HydrophobicContact CG2-CE1 4.13Å; V40-Y63 HydrophobicContact CG2-CG 4.15Å; V40-T64 PolarHBondContact N-O 2.8Å; V40-V65 HydrophobicContact CB-CG2 4.29Å; V40-V65 CarbonylContact O-C 3.42Å; V40-V65 WeakPolarHBondContact O-CA 3.42Å; V40-R66 PolarHBondContact O-N 2.71Å; V40-M108 CarbonylContact C-O 3.5Å; V40-M108 WeakPolarHBondContact CA-O 3.41Å; V40-M108 HydrophobicContact CB-CE 4.43Å; V40-M108 HydrophobicContact CG1-CE 3.92Å; V40-M108 HydrophobicContact CG2-CE 3.66Å; V40-V110 HydrophobicContact CG1-CG2 3.94Å
41	M	98.6	Very high	93.2	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	139.7	172.6	-68	-171.8	-179.8	0	0	109.6	L39 R66 L92 E95 M96 Y99 I107 M108 F109 V110	L39-M41 HydrophobicContact CD2-CE 3.5Å; L39-M41 HydrophobicContact CD2-CG 4.4Å; L39-M41 HydrophobicContact CG-CE 4.33Å; L39-M41 HydrophobicContact CG-CG 4.29Å; M41-R66 WeakPolarHBondContact CA-O 3.33Å; M41-R66 HydrophobicContact CG-CB 4.33Å; M41-L92 HydrophobicContact CB-CD1 4.37Å; M41-L92 HydrophobicContact SD-CD1 3.57Å; M41-L92 VanDerWaalsContact SD-CD1 3.57Å; M41-E95 HydrophobicContact CE-CG 3.72Å; M41-E95 HydrophobicContact SD-CG 4.04Å; M41-M96 HydrophobicContact CE-SD 4.29Å; M41-M96 HydrophobicContact SD-SD 4.26Å; M41-Y99 HydrophobicContact CE-CD2 3.85Å; M41-Y99 HydrophobicContact CE-CE2 3.43Å; M41-Y99 VanDerWaalsContact CE-CE2 3.43Å; M41-I107 HydrophobicContact CB-CG2 4.42Å; M41-I107 HydrophobicContact CE-CD1 3.86Å; M41-I107 HydrophobicContact CE-CG2 4.42Å; M41-I107 HydrophobicContact CG-CG2 4Å; M41-I107 HydrophobicContact SD-CG2 3.99Å; M41-M108 PolarHBondContact N-O 2.85Å; M41-F109 HydrophobicContact CB-CD2 4.25Å; M41-F109 VanDerWaalsContact O-CA 3.32Å; M41-F109 WeakPolarHBondContact O-CA 3.01Å; M41-V110 PolarHBondContact O-N 3.26Å; M41-V110 VanDerWaalsContact O-N 3.08Å
42	T	98.8	Very high	95	Very high	0 Å²	0	43 Å²	43	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	170.7	174.4	-165.6	0	0	0	0	110.7	Y51 F54 V65 R66 T67 L68 V110 S112	T42-Y51 HydrophobicContact CG2-CE2 4.39Å; T42-F54 HydrophobicContact CG2-CD1 4.47Å; T42-F54 HydrophobicContact CG2-CE1 3.75Å; T42-F54 HydrophobicContact CG2-CZ 4.37Å; T42-V65 HydrophobicContact CG2-CG1 4.12Å; T42-R66 PolarHBondContact N-O 3.22Å; T42-T67 HydrophobicContact CG2-CG2 4.27Å; T42-L68 PolarHBondContact O-N 3.3Å; T42-V110 WeakPolarHBondContact CA-O 3.47Å; T42-V110 WeakPolarHBondContact CB-O 3.34Å; T42-V110 PolarHBondContact OG1-O 3.22Å; T42-S112 VanDerWaalsContact OG1-CB 3.29Å; T42-S112 WeakPolarHBondContact OG1-CB 3.35Å; T42-S112 PolarHBondContact OG1-N 2.56Å
43	V	98.4	Very high	96.1	Very high	10 Å²	10	38.1 Å²	38.1	6%	0.061	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	134.5	175.2	175.8	0	0	0	0	109.1	L68 W74 K88 W91 F109 S112	V43-L68 WeakPolarHBondContact CA-O 3.36Å; V43-L68 HydrophobicContact CG2-CB 4.23Å; V43-W74 HydrophobicContact CG1-CZ3 4.36Å; V43-K88 HydrophobicContact CB-CD 4.4Å; V43-K88 HydrophobicContact CB-CG 4.07Å; V43-K88 HydrophobicContact CG1-CG 4.07Å; V43-K88 HydrophobicContact CG2-CB 3.97Å; V43-K88 HydrophobicContact CG2-CG 3.99Å; V43-W91 HydrophobicContact CG1-CE3 3.58Å; V43-W91 HydrophobicContact CG1-CZ3 3.43Å; V43-W91 VanDerWaalsContact CG1-CZ3 3.43Å; V43-W91 HydrophobicContact CG2-CE3 4.24Å; V43-F109 HydrophobicContact CG2-CE2 4Å; V43-F109 HydrophobicContact CG2-CZ 4.09Å; V43-S112 PolarHBondContact O-OG 3.02Å
44	A	97.9	Very high	96.8	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.008	19%	0.189	C	C	.	.			trans	-151.2	129.4	168.8	0	0	0	0	0	108.3	Y51 T67 L68 G69 L70 Y113	A44-Y51 HydrophobicContact CB-CD2 3.42Å; A44-Y51 VanDerWaalsContact CB-CD2 3.42Å; A44-Y51 HydrophobicContact CB-CE2 3.66Å; A44-Y51 HydrophobicContact CB-CG 3.93Å; A44-T67 HydrophobicContact CB-CG2 3.74Å; A44-L68 PolarHBondContact N-O 3.49Å; A44-G69 CarbonylContact O-C 3.52Å; A44-L70 HydrophobicContact CB-CD2 4.18Å; A44-L70 VanDerWaalsContact O-CA 3.25Å; A44-L70 WeakPolarHBondContact O-CA 3.38Å; A44-L70 WeakPolarHBondContact O-CG 3.29Å; A44-L70 PolarHBondContact O-N 2.74Å; A44-Y113 HydrophobicContact CB-CE1 3.83Å
45	T	96.9	Very high	97.2	Very high	26 Å²	26	34 Å²	34	16%	0.16	18%	0.179	C	C	.	.	S	Bend	trans	-88.3	-27.6	176.4	48.3	0	0	0	0	111.9	G69 G71 E72 W74 W91 Y113	T45-G69 WeakPolarHBondContact CA-O 3.33Å; T45-G71 PolarHBondContact O-N 3.05Å; T45-E72 WeakPolarHBondContact CB-O 3.19Å; T45-E72 WeakPolarHBondContact CG2-O 3.44Å; T45-W74 HydrophobicContact CG2-CB 4.02Å; T45-W74 HydrophobicContact CG2-CE3 3.97Å; T45-W91 HydrophobicContact CG2-CH2 3.78Å; T45-W91 HydrophobicContact CG2-CZ3 4.15Å; T45-Y113 PolarHBondContact N-OH 2.87Å; T45-Y113 PolarHBondContact OG1-OH 3.43Å; T45-Y113 VanDerWaalsContact OG1-OH 3.11Å
46	A	95.4	Very high	97.4	Very high	50 Å²	50	35.2 Å²	35.2	41%	0.413	18%	0.177	S	C	.	.	S	Bend	trans	-137.5	158.5	176.6	0	0	0	0	0	111.1	T48 Y113	A46-T48 HydrophobicContact CB-CG2 4.29Å; A46-T48 PolarHBondContact O-N 3.41Å; A46-Y113 PolarHBondContact N-OH 2.88Å; A46-Y113 PolarHBondContact O-OH 3.5Å
47	E	96.4	Very high	97.7	Very high	128 Å²	128	27.6 Å²	27.6	60%	0.598	14%	0.141	S	C	*	.			trans	-81	68.7	175.3	-61.3	-169.2	114.3	0	0	111.1	Y51 L52 L70	E47-Y51 HydrophobicContact CB-CD1 4.27Å; E47-Y51 HydrophobicContact CG-CD1 4.3Å; E47-Y51 HydrophobicContact CG-CE1 4.1Å; E47-L52 HydrophobicContact CB-CD2 4.47Å; E47-L70 HydrophobicContact CG-CD2 4.03Å
48	T	97.1	Very high	97.9	Very high	34 Å²	34	24 Å²	24	21%	0.209	13%	0.126	C	C	.	.			trans	-70.2	161.5	178.2	68.4	0	0	0	0	111.8	A46 G50 Y51 L52 Y113	A46-T48 HydrophobicContact CB-CG2 4.29Å; A46-T48 PolarHBondContact O-N 3.41Å; T48-G50 PolarHBondContact O-N 3.47Å; T48-Y51 PolarHBondContact O-N 3.1Å; T48-Y51 VanDerWaalsContact O-N 3.14Å; T48-Y51 PolarHBondContact OG1-N 2.85Å; T48-Y51 VanDerWaalsContact OG1-N 3.15Å; T48-L52 WeakPolarHBondContact O-CG 3.5Å; T48-L52 PolarHBondContact O-N 3.36Å; T48-Y113 HydrophobicContact CG2-CD1 4.37Å; T48-Y113 HydrophobicContact CG2-CE1 3.82Å; T48-Y113 HydrophobicContact CG2-CE2 3.99Å; T48-Y113 WeakPolarHBondContact OG1-CD1 3.3Å; T48-Y113 VanDerWaalsContact OG1-CE1 3.3Å; T48-Y113 WeakPolarHBondContact OG1-CE1 3.15Å
49	E	97.5	Very high	97.8	Very high	22 Å²	22	29 Å²	29	10%	0.103	15%	0.149	C	C	.	.	H	α-helix	trans	-62.6	-31.1	177	-67.2	172.8	116.2	0	0	112.2	R53 K411 I501 F502 H504	E49-R53 WeakPolarHBondContact O-CB 3.3Å; E49-R53 PolarHBondContact O-N 3.36Å; E49-K411 HydrophobicContact CG-CD 4.31Å; E49-I501 WeakPolarHBondContact OE2-CA 3.22Å; E49-F502 HydrophobicContact CB-CD1 4.26Å; E49-F502 HydrophobicContact CB-CD2 3.58Å; E49-F502 HydrophobicContact CB-CE1 4.34Å; E49-F502 HydrophobicContact CB-CE2 3.67Å; E49-F502 HydrophobicContact CB-CG 3.9Å; E49-F502 HydrophobicContact CB-CZ 4.06Å; E49-F502 HydrophobicContact CG-CD2 4.48Å; E49-F502 PolarHBondContact OE2-N 3.24Å; E49-H504 IonicContact OE1-CE1 3.38Å; E49-H504 PolarHBondContact OE1-CE1 3.44Å
50	G	97.9	Very high	97.8	Very high	4 Å²	4	31.8 Å²	31.8	4%	0.041	16%	0.161	C	C	.	.	H	α-helix	trans	-63.3	-48.6	170.6	0	0	0	0	0	113.1	T48 L52 R53 F54 Y113	T48-G50 PolarHBondContact O-N 3.47Å; G50-L52 PolarHBondContact O-N 3.44Å; G50-R53 WeakPolarHBondContact O-CB 3.45Å; G50-R53 PolarHBondContact O-N 3.32Å; G50-F54 PolarHBondContact O-N 3.49Å; G50-Y113 VanDerWaalsContact CA-O 3.26Å; G50-Y113 WeakPolarHBondContact CA-O 3.36Å
51	Y	98.4	Very high	97.7	Very high	8 Å²	8	32.8 Å²	32.8	3%	0.031	17%	0.165	C	C	.	.	H	α-helix	trans	-61.1	-44.1	175.1	170.4	-105.2	0	0	0	112.3	T42 A44 E47 T48 R53 F54 L55 T67	T42-Y51 HydrophobicContact CG2-CE2 4.39Å; A44-Y51 HydrophobicContact CB-CD2 3.42Å; A44-Y51 VanDerWaalsContact CB-CD2 3.42Å; A44-Y51 HydrophobicContact CB-CE2 3.66Å; A44-Y51 HydrophobicContact CB-CG 3.93Å; E47-Y51 HydrophobicContact CB-CD1 4.27Å; E47-Y51 HydrophobicContact CG-CD1 4.3Å; E47-Y51 HydrophobicContact CG-CE1 4.1Å; T48-Y51 PolarHBondContact O-N 3.1Å; T48-Y51 VanDerWaalsContact O-N 3.14Å; T48-Y51 PolarHBondContact OG1-N 2.85Å; T48-Y51 VanDerWaalsContact OG1-N 3.15Å; Y51-R53 VanDerWaalsContact C-N 3.31Å; Y51-R53 PolarHBondContact O-N 3.37Å; Y51-F54 WeakPolarHBondContact O-CB 3.21Å; Y51-F54 PolarHBondContact O-N 3.22Å; Y51-F54 VanDerWaalsContact O-N 3.17Å; Y51-L55 HydrophobicContact CD1-CD1 4.22Å; Y51-L55 HydrophobicContact CD1-CG 4.49Å; Y51-L55 HydrophobicContact CE1-CD1 3.44Å; Y51-L55 VanDerWaalsContact CE1-CD1 3.44Å; Y51-L55 HydrophobicContact CE1-CG 4Å; Y51-L55 HydrophobicContact CE2-CD1 4.28Å; Y51-L55 HydrophobicContact CE2-CD2 4.24Å; Y51-L55 HydrophobicContact CE2-CG 4.05Å; Y51-L55 VanDerWaalsContact CZ-CD1 3.48Å; Y51-L55 PolarHBondContact O-N 2.99Å; Y51-L55 WeakPolarHBondContact OH-CD1 3.48Å; Y51-T67 HydrophobicContact CE2-CG2 3.6Å; Y51-T67 WeakPolarHBondContact OH-CB 3.25Å; Y51-T67 WeakPolarHBondContact OH-CG2 3.35Å; Y51-T67 PolarHBondContact OH-OG1 2.99Å
52	L	97.8	Very high	97.7	Very high	60 Å²	60	39.5 Å²	39.5	31%	0.314	20%	0.201	S	C	.	.	H	α-helix	trans	-65.4	-36	177.4	-65.2	173.8	0	0	0	111.5	E47 T48 G50 L55 R56	E47-L52 HydrophobicContact CB-CD2 4.47Å; T48-L52 WeakPolarHBondContact O-CG 3.5Å; T48-L52 PolarHBondContact O-N 3.36Å; G50-L52 PolarHBondContact O-N 3.44Å; L52-L55 PolarHBondContact O-N 3.44Å; L52-R56 WeakPolarHBondContact O-CG 3.33Å; L52-R56 PolarHBondContact O-N 3.02Å
53	R	98.1	Very high	97.7	Very high	21 Å²	21	40.3 Å²	40.3	8%	0.079	20%	0.204	C	C	.	.	H	α-helix	trans	-61.9	-43.4	171.4	179.9	-177.9	61.9	-161.7	-5.9	111.4	E49 G50 Y51 S57 Y113 I116 N262	E49-R53 WeakPolarHBondContact O-CB 3.3Å; E49-R53 PolarHBondContact O-N 3.36Å; G50-R53 WeakPolarHBondContact O-CB 3.45Å; G50-R53 PolarHBondContact O-N 3.32Å; Y51-R53 VanDerWaalsContact C-N 3.31Å; Y51-R53 PolarHBondContact O-N 3.37Å; R53-S57 PolarHBondContact O-N 3.01Å; R53-S57 VanDerWaalsContact O-N 3.15Å; R53-Y113 PolarHBondContact NH2-O 2.9Å; R53-I116 HydrophobicContact CG-CG2 3.87Å; R53-N262 PolarHBondContact NH1-OD1 3.32Å
54	F	98.7	Very high	97.6	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-58.6	-52	174	166.1	-101.1	0	0	0	111.5	V40 T42 G50 Y51 R56 S57 A58 V65 V110 S112 V115 L117	V40-F54 HydrophobicContact CG1-CZ 4.12Å; T42-F54 HydrophobicContact CG2-CD1 4.47Å; T42-F54 HydrophobicContact CG2-CE1 3.75Å; T42-F54 HydrophobicContact CG2-CZ 4.37Å; G50-F54 PolarHBondContact O-N 3.49Å; Y51-F54 WeakPolarHBondContact O-CB 3.21Å; Y51-F54 PolarHBondContact O-N 3.22Å; Y51-F54 VanDerWaalsContact O-N 3.17Å; F54-R56 PolarHBondContact O-N 2.99Å; F54-S57 PolarHBondContact O-N 3.37Å; F54-S57 VanDerWaalsContact O-N 3.12Å; F54-S57 PolarHBondContact O-OG 3.19Å; F54-A58 PolarHBondContact O-N 3.14Å; F54-V65 HydrophobicContact CE1-CG1 3.92Å; F54-V65 HydrophobicContact CZ-CG1 4.45Å; F54-V110 HydrophobicContact CE2-CG2 3.66Å; F54-V110 HydrophobicContact CZ-CG2 3.77Å; F54-S112 VanDerWaalsContact CB-O 3.28Å; F54-S112 WeakPolarHBondContact CB-O 3.34Å; F54-V115 WeakPolarHBondContact CB-O 3.49Å; F54-V115 HydrophobicContact CD2-CB 4.18Å; F54-V115 HydrophobicContact CD2-CG1 4.04Å; F54-V115 HydrophobicContact CE2-CG1 4.2Å; F54-L117 HydrophobicContact CE2-CD1 4.26Å; F54-L117 HydrophobicContact CE2-CD2 4.3Å; F54-L117 HydrophobicContact CE2-CG 4.1Å
55	L	98.4	Very high	97.7	Very high	30 Å²	30	46.2 Å²	46.2	16%	0.157	24%	0.24	C	C	.	.	H	α-helix	trans	-58.3	-46.2	179.3	-76	-171.4	0	0	0	112.5	Y51 L52 S57 A58 E59 V65	Y51-L55 HydrophobicContact CD1-CD1 4.22Å; Y51-L55 HydrophobicContact CD1-CG 4.49Å; Y51-L55 HydrophobicContact CE1-CD1 3.44Å; Y51-L55 VanDerWaalsContact CE1-CD1 3.44Å; Y51-L55 HydrophobicContact CE1-CG 4Å; Y51-L55 HydrophobicContact CE2-CD1 4.28Å; Y51-L55 HydrophobicContact CE2-CD2 4.24Å; Y51-L55 HydrophobicContact CE2-CG 4.05Å; Y51-L55 VanDerWaalsContact CZ-CD1 3.48Å; Y51-L55 PolarHBondContact O-N 2.99Å; Y51-L55 WeakPolarHBondContact OH-CD1 3.48Å; L52-L55 PolarHBondContact O-N 3.44Å; L55-S57 VanDerWaalsContact C-N 3.26Å; L55-S57 PolarHBondContact O-N 2.99Å; L55-A58 WeakPolarHBondContact O-CA 3.37Å; L55-A58 WeakPolarHBondContact O-CB 3.38Å; L55-A58 PolarHBondContact O-N 3.3Å; L55-E59 WeakPolarHBondContact O-CG 3.38Å; L55-E59 PolarHBondContact O-N 2.79Å; L55-V65 HydrophobicContact CD2-CB 4.28Å; L55-V65 HydrophobicContact CD2-CG1 3.96Å; L55-V65 HydrophobicContact CD2-CG2 4.47Å
56	R	97.2	Very high	97.7	Very high	80 Å²	80	50.6 Å²	50.6	30%	0.302	25%	0.253	S	S	.	.	H	α-helix	trans	-57	-40.6	176.6	-74.4	-171.4	-61.2	-91.4	3.3	112.2	L52 F54 A58 F60	L52-R56 WeakPolarHBondContact O-CG 3.33Å; L52-R56 PolarHBondContact O-N 3.02Å; F54-R56 PolarHBondContact O-N 2.99Å; R56-A58 VanDerWaalsContact C-N 3.33Å; R56-F60 WeakPolarHBondContact O-CB 3.32Å; R56-F60 PolarHBondContact O-N 3.15Å; R56-F60 VanDerWaalsContact O-N 3.1Å
57	S	98.3	Very high	97.9	Very high	3 Å²	3	49.5 Å²	49.5	2%	0.021	24%	0.242	C	C	.	.	H	α-helix	trans	-67.7	-34.1	176.4	78.1	0	0	0	0	112.6	R53 F54 L55 F61 L117	R53-S57 PolarHBondContact O-N 3.01Å; R53-S57 VanDerWaalsContact O-N 3.15Å; F54-S57 PolarHBondContact O-N 3.37Å; F54-S57 VanDerWaalsContact O-N 3.12Å; F54-S57 PolarHBondContact O-OG 3.19Å; L55-S57 VanDerWaalsContact C-N 3.26Å; L55-S57 PolarHBondContact O-N 2.99Å; S57-F61 WeakPolarHBondContact O-CD2 3.48Å; S57-L117 PolarHBondContact OG-N 2.82Å
58	A	98.4	Very high	98	Very high	1 Å²	1	44 Å²	44	1%	0.008	22%	0.216	C	C	.	.	H	α-helix	trans	-72.4	-44.8	177.9	0	0	0	0	0	112.4	F54 L55 R56 F60 F61 N62 Y63 V65 L117	F54-A58 PolarHBondContact O-N 3.14Å; L55-A58 WeakPolarHBondContact O-CA 3.37Å; L55-A58 WeakPolarHBondContact O-CB 3.38Å; L55-A58 PolarHBondContact O-N 3.3Å; R56-A58 VanDerWaalsContact C-N 3.33Å; A58-F60 VanDerWaalsContact C-N 3.32Å; A58-F60 PolarHBondContact O-N 3.47Å; A58-F61 PolarHBondContact O-N 3.48Å; A58-N62 PolarHBondContact O-N 3.08Å; A58-Y63 PolarHBondContact O-N 3.43Å; A58-V65 HydrophobicContact CB-CG2 3.65Å; A58-L117 HydrophobicContact CB-CD1 3.77Å
59	E	97.2	Very high	98	Very high	113 Å²	113	43 Å²	43	53%	0.528	21%	0.213	S	C	.	.	H	α-helix	trans	-60.2	-40.3	175.1	-71.8	168	-173.9	0	0	111.7	L55 F61 N62	L55-E59 WeakPolarHBondContact O-CG 3.38Å; L55-E59 PolarHBondContact O-N 2.79Å; E59-F61 PolarHBondContact O-N 3.19Å; E59-F61 VanDerWaalsContact O-N 3.13Å; E59-N62 PolarHBondContact O-N 3.08Å
60	F	96.8	Very high	97.9	Very high	77 Å²	77	45.5 Å²	45.5	34%	0.338	23%	0.227	S	C	.	.	H	α-helix	trans	-54.7	-33.9	176.9	178.2	-99.1	0	0	0	113.1	R56 A58 R236 P269 N270	R56-F60 WeakPolarHBondContact O-CB 3.32Å; R56-F60 PolarHBondContact O-N 3.15Å; R56-F60 VanDerWaalsContact O-N 3.1Å; A58-F60 VanDerWaalsContact C-N 3.32Å; A58-F60 PolarHBondContact O-N 3.47Å; F60-R236 HydrophobicContact CZ-CB 4.44Å; F60-P269 HydrophobicContact CB-CG 4.24Å; F60-P269 HydrophobicContact CD1-CB 3.86Å; F60-P269 HydrophobicContact CD1-CG 3.7Å; F60-P269 HydrophobicContact CE1-CB 4.03Å; F60-P269 HydrophobicContact CE1-CG 4.33Å; F60-P269 HydrophobicContact CG-CG 4.07Å; F60-N270 HydrophobicContact CD2-CB 3.88Å; F60-N270 VanDerWaalsContact CD2-CG 3.48Å; F60-N270 WeakPolarHBondContact CD2-ND2 3.39Å; F60-N270 HydrophobicContact CE2-CB 3.6Å; F60-N270 HydrophobicContact CG-CB 4.47Å; F60-N270 HydrophobicContact CZ-CB 3.98Å
61	F	97.8	Very high	97.7	Very high	20 Å²	20	49 Å²	49	9%	0.088	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.4	7.1	178.5	-69	-66.2	0	0	0	114	S57 A58 E59 Y63 L117 P121 P269	S57-F61 WeakPolarHBondContact O-CD2 3.48Å; A58-F61 PolarHBondContact O-N 3.48Å; E59-F61 PolarHBondContact O-N 3.19Å; E59-F61 VanDerWaalsContact O-N 3.13Å; F61-Y63 VanDerWaalsContact C-N 3.35Å; F61-Y63 HydrophobicContact CB-CD2 3.63Å; F61-Y63 HydrophobicContact CB-CE2 3.55Å; F61-Y63 HydrophobicContact CD2-CE2 4.3Å; F61-Y63 HydrophobicContact CG-CE2 4.22Å; F61-Y63 PolarHBondContact O-N 3.24Å; F61-L117 HydrophobicContact CD2-CB 4.44Å; F61-L117 WeakPolarHBondContact CE2-O 3.44Å; F61-P121 VanDerWaalsContact O-CD 3.25Å; F61-P121 WeakPolarHBondContact O-CD 3.49Å; F61-P269 HydrophobicContact CE2-CB 3.53Å; F61-P269 HydrophobicContact CE2-CG 3.82Å; F61-P269 HydrophobicContact CZ-CB 3.71Å; F61-P269 HydrophobicContact CZ-CG 4.42Å
62	N	97.9	Very high	97.6	Very high	142 Å²	142	54.1 Å²	54.1	76%	0.759	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.2	40.9	-175.6	-56.9	-47.7	0	0	0	113.6	A58 E59	A58-N62 PolarHBondContact O-N 3.08Å; E59-N62 PolarHBondContact O-N 3.08Å
63	Y	98.3	Very high	97.5	Very high	17 Å²	17	57.3 Å²	57.3	7%	0.067	30%	0.3	C	S	.	.			trans	-72.3	143.1	168.6	-77.5	-84.5	0	0	0	111	L38 V40 A58 F61 L117 G119 S120 P121 L124 V249	L38-Y63 HydrophobicContact CD2-CD1 3.88Å; L38-Y63 HydrophobicContact CD2-CE1 3.62Å; V40-Y63 HydrophobicContact CG2-CD1 3.47Å; V40-Y63 VanDerWaalsContact CG2-CD1 3.47Å; V40-Y63 HydrophobicContact CG2-CE1 4.13Å; V40-Y63 HydrophobicContact CG2-CG 4.15Å; A58-Y63 PolarHBondContact O-N 3.43Å; F61-Y63 VanDerWaalsContact C-N 3.35Å; F61-Y63 HydrophobicContact CB-CD2 3.63Å; F61-Y63 HydrophobicContact CB-CE2 3.55Å; F61-Y63 HydrophobicContact CD2-CE2 4.3Å; F61-Y63 HydrophobicContact CG-CE2 4.22Å; F61-Y63 PolarHBondContact O-N 3.24Å; Y63-L117 HydrophobicContact CD2-CD1 3.55Å; Y63-L117 HydrophobicContact CE2-CB 4.41Å; Y63-L117 HydrophobicContact CE2-CD1 3.7Å; Y63-L117 HydrophobicContact CG-CD1 4Å; Y63-G119 VanDerWaalsContact CE2-O 3.25Å; Y63-G119 WeakPolarHBondContact CE2-O 3.1Å; Y63-G119 PolarHBondContact OH-O 2.88Å; Y63-S120 PolarHBondContact OH-O 3.23Å; Y63-P121 HydrophobicContact CD1-CB 4.36Å; Y63-P121 HydrophobicContact CD1-CG 3.72Å; Y63-P121 HydrophobicContact CD2-CG 4.15Å; Y63-P121 HydrophobicContact CE1-CB 3.99Å; Y63-P121 HydrophobicContact CE1-CG 3.62Å; Y63-P121 HydrophobicContact CE2-CG 4.05Å; Y63-P121 HydrophobicContact CG-CG 3.99Å; Y63-L124 HydrophobicContact CE1-CD2 3.83Å; Y63-V249 WeakPolarHBondContact OH-CG1 3.41Å
64	T	98.3	Very high	97.3	Very high	93 Å²	93	60.1 Å²	60.1	57%	0.571	31%	0.31	S	S	*	.			trans	-88.2	116	165.1	-57.9	0	0	0	0	108.6	L39 V40	L39-T64 HydrophobicContact CD1-CG2 3.93Å; V40-T64 PolarHBondContact N-O 2.8Å
65	V	98.6	Very high	97.2	Very high	41 Å²	41	67.4 Å²	67.4	25%	0.248	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	133.9	-177.3	-178.4	0	0	0	0	110.4	V40 T42 F54 L55 A58	V40-V65 HydrophobicContact CB-CG2 4.29Å; V40-V65 CarbonylContact O-C 3.42Å; V40-V65 WeakPolarHBondContact O-CA 3.42Å; T42-V65 HydrophobicContact CG2-CG1 4.12Å; F54-V65 HydrophobicContact CE1-CG1 3.92Å; F54-V65 HydrophobicContact CZ-CG1 4.45Å; L55-V65 HydrophobicContact CD2-CB 4.28Å; L55-V65 HydrophobicContact CD2-CG1 3.96Å; L55-V65 HydrophobicContact CD2-CG2 4.47Å; A58-V65 HydrophobicContact CB-CG2 3.65Å
66	R	98.4	Very high	97	Very high	118 Å²	118	66 Å²	66	45%	0.445	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	108.8	169.7	178.9	65	176.2	177.4	6.8	109.4	L39 V40 M41 T42 L68 E95	L39-R66 HydrophobicContact CD1-CB 4.02Å; L39-R66 HydrophobicContact CG-CB 4.49Å; V40-R66 PolarHBondContact O-N 2.71Å; M41-R66 WeakPolarHBondContact CA-O 3.33Å; M41-R66 HydrophobicContact CG-CB 4.33Å; T42-R66 PolarHBondContact N-O 3.22Å; R66-L68 HydrophobicContact CG-CD2 4.04Å; R66-E95 IonicContact NE-OE1 2.73Å
67	T	98.6	Very high	96.7	Very high	28 Å²	28	63.7 Å²	63.7	17%	0.172	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	132.2	175.8	-50.2	0	0	0	0	110.7	T42 A44 Y51 L70	T42-T67 HydrophobicContact CG2-CG2 4.27Å; A44-T67 HydrophobicContact CB-CG2 3.74Å; Y51-T67 HydrophobicContact CE2-CG2 3.6Å; Y51-T67 WeakPolarHBondContact OH-CB 3.25Å; Y51-T67 WeakPolarHBondContact OH-CG2 3.35Å; Y51-T67 PolarHBondContact OH-OG1 2.99Å; T67-L70 HydrophobicContact CG2-CD1 3.74Å; T67-L70 HydrophobicContact CG2-CD2 4.41Å; T67-L70 HydrophobicContact CG2-CG 3.71Å
68	L	98.3	Very high	96.2	Very high	12 Å²	12	67.5 Å²	67.5	6%	0.063	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	142.9	178	-53.5	179.8	0	0	0	110	T42 V43 A44 R66 W91 E95	T42-L68 PolarHBondContact O-N 3.3Å; V43-L68 WeakPolarHBondContact CA-O 3.36Å; V43-L68 HydrophobicContact CG2-CB 4.23Å; A44-L68 PolarHBondContact N-O 3.49Å; R66-L68 HydrophobicContact CG-CD2 4.04Å; L68-W91 HydrophobicContact CB-CB 4.34Å; L68-W91 HydrophobicContact CD1-CB 4.37Å; L68-E95 HydrophobicContact CD1-CB 4.06Å; L68-E95 HydrophobicContact CD1-CG 4.44Å; L68-E95 HydrophobicContact CD2-CB 4.17Å; L68-E95 HydrophobicContact CD2-CG 3.97Å
69	G	96.8	Very high	95.6	Very high	13 Å²	13	71.2 Å²	71.2	13%	0.134	37%	0.374	C	S	.	.			trans	86	3.7	172	0	0	0	0	0	116.4	A44 T45 G71 E72	A44-G69 CarbonylContact O-C 3.52Å; T45-G69 WeakPolarHBondContact CA-O 3.33Å; G69-G71 PolarHBondContact O-N 3.23Å; G69-E72 VanDerWaalsContact O-CB 3.27Å; G69-E72 WeakPolarHBondContact O-CB 3.5Å; G69-E72 PolarHBondContact O-N 2.99Å
70	L	96.2	Very high	94.9	Very high	75 Å²	75	70.2 Å²	70.2	39%	0.393	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	128.5	177.6	-80.9	170.9	0	0	0	111.1	A44 E47 T67 E72	A44-L70 HydrophobicContact CB-CD2 4.18Å; A44-L70 VanDerWaalsContact O-CA 3.25Å; A44-L70 WeakPolarHBondContact O-CA 3.38Å; A44-L70 WeakPolarHBondContact O-CG 3.29Å; A44-L70 PolarHBondContact O-N 2.74Å; E47-L70 HydrophobicContact CG-CD2 4.03Å; T67-L70 HydrophobicContact CG2-CD1 3.74Å; T67-L70 HydrophobicContact CG2-CD2 4.41Å; T67-L70 HydrophobicContact CG2-CG 3.71Å; L70-E72 PolarHBondContact O-N 3.13Å
71	G	93.8	Very high	94.1	Very high	76 Å²	76	76.5 Å²	76.5	78%	0.784	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.8	-5.9	-177.3	0	0	0	0	0	114.5	T45 G69	T45-G71 PolarHBondContact O-N 3.05Å; G69-G71 PolarHBondContact O-N 3.23Å
72	E	95.8	Very high	93.6	Very high	116 Å²	116	79.5 Å²	79.5	54%	0.542	43%	0.427	S	S	.	.	S	Bend	trans	-86.1	149.2	173	-59.6	-71.4	150.7	0	0	110.8	T45 G69 L70 W91	T45-E72 WeakPolarHBondContact CB-O 3.19Å; T45-E72 WeakPolarHBondContact CG2-O 3.44Å; G69-E72 VanDerWaalsContact O-CB 3.27Å; G69-E72 WeakPolarHBondContact O-CB 3.5Å; G69-E72 PolarHBondContact O-N 2.99Å; L70-E72 PolarHBondContact O-N 3.13Å; E72-W91 HydrophobicContact CB-CH2 4.09Å; E72-W91 HydrophobicContact CB-CZ2 3.64Å; E72-W91 HydrophobicContact CG-CZ2 4.04Å
73	E	94.9	Very high	93.3	Very high	127 Å²	127	75.9 Å²	75.9	59%	0.593	41%	0.41	S	S	*	.	P	Polyproline II helix	trans	-69	135.5	172.4	-174.4	-171.5	-163	0	0	110.9	R75 Q87	E73-R75 PolarHBondContact O-N 2.96Å; E73-R75 IonicContact OE2-CZ 2.76Å; E73-R75 IonicContact OE2-NE 3.46Å; E73-R75 PolarHBondContact OE2-NE 3.25Å; E73-R75 IonicContact OE2-NH2 2.8Å; E73-R75 PolarHBondContact OE2-NH2 3.03Å; E73-Q87 PolarHBondContact O-NE2 2.8Å
74	W	95.9	Very high	93.1	Very high	80 Å²	80	75.2 Å²	75.2	30%	0.303	41%	0.409	S	S	.	.	P	Polyproline II helix	trans	-74.5	118	173.2	-178.9	-106.6	0	0	0	110.9	V43 T45 G76 G77 V79 Q87 K88 W91	V43-W74 HydrophobicContact CG1-CZ3 4.36Å; T45-W74 HydrophobicContact CG2-CB 4.02Å; T45-W74 HydrophobicContact CG2-CE3 3.97Å; W74-G76 VanDerWaalsContact CE2-CA 3.49Å; W74-G77 PolarHBondContact NE1-O 2.97Å; W74-V79 HydrophobicContact CZ2-CG1 3.81Å; W74-V79 HydrophobicContact CZ2-CG2 4.16Å; W74-Q87 HydrophobicContact CZ3-CB 4.41Å; W74-K88 HydrophobicContact CH2-CD 4.18Å; W74-K88 HydrophobicContact CH2-CG 3.79Å; W74-K88 HydrophobicContact CZ3-CG 3.93Å; W74-W91 HydrophobicContact CE3-CZ3 4.41Å; W74-W91 HydrophobicContact CZ3-CZ3 4.37Å
75	R	95.9	Very high	93	Very high	153 Å²	153	70.8 Å²	70.8	58%	0.577	38%	0.381	S	S	*	.			trans	-116.2	10	177.7	-62.4	-177.7	178.4	176.9	0.6	112.6	E73 G77 D186	E73-R75 PolarHBondContact O-N 2.96Å; E73-R75 IonicContact OE2-CZ 2.76Å; E73-R75 IonicContact OE2-NE 3.46Å; E73-R75 PolarHBondContact OE2-NE 3.25Å; E73-R75 IonicContact OE2-NH2 2.8Å; E73-R75 PolarHBondContact OE2-NH2 3.03Å; R75-G77 PolarHBondContact O-N 3.15Å; R75-D186 HydrophobicContact CB-CB 4.03Å; R75-D186 CarbonylContact O-C 3.56Å
76	G	93.1	Very high	92.9	Very high	0 Å²	0	68.9 Å²	68.9	0%	0	37%	0.37	C	S	.	.	S	Bend	trans	-80.3	11	-178.3	0	0	0	0	0	115.7	W74 G84 G85 D186	W74-G76 VanDerWaalsContact CE2-CA 3.49Å; G76-G84 CarbonylContact O-C 3.58Å; G76-G84 WeakPolarHBondContact O-CA 3.49Å; G76-G85 PolarHBondContact O-N 2.69Å; G76-D186 WeakPolarHBondContact CA-O 3.3Å
77	G	91	Very high	92.9	Very high	33 Å²	33	63.4 Å²	63.4	34%	0.34	35%	0.349	S	S	.	.			trans	77.5	179.6	-176.4	0	0	0	0	0	114.1	W74 R75 V79	W74-G77 PolarHBondContact NE1-O 2.97Å; R75-G77 PolarHBondContact O-N 3.15Å; G77-V79 VanDerWaalsContact C-N 3.34Å; G77-V79 PolarHBondContact O-N 2.97Å; G77-V79 VanDerWaalsContact O-N 3.07Å
78	D	89.1	Confident	92.8	Very high	83 Å²	83	63 Å²	63	44%	0.444	35%	0.345	S	S	.	.			trans	-83.1	78.4	176.6	-172.2	-7.5	0	0	0	110.7	A80 R81 T82	D78-A80 PolarHBondContact O-N 2.94Å; D78-A80 VanDerWaalsContact O-N 3.11Å; D78-A80 PolarHBondContact OD1-N 2.95Å; D78-R81 PolarHBondContact O-N 2.99Å; D78-R81 WeakPolarHBondContact OD2-CD 3.25Å; D78-R81 WeakPolarHBondContact OD2-CG 3.07Å; D78-T82 PolarHBondContact O-N 2.99Å; D78-T82 PolarHBondContact O-OG1 2.87Å
79	V	86	Confident	92.9	Very high	78 Å²	78	62.5 Å²	62.5	47%	0.473	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-9.9	-177.6	-65.7	0	0	0	0	114.3	W74 G77	W74-V79 HydrophobicContact CZ2-CG1 3.81Å; W74-V79 HydrophobicContact CZ2-CG2 4.16Å; G77-V79 VanDerWaalsContact C-N 3.34Å; G77-V79 PolarHBondContact O-N 2.97Å; G77-V79 VanDerWaalsContact O-N 3.07Å
80	A	81.1	Confident	92.9	Very high	93 Å²	93	66.2 Å²	66.2	77%	0.769	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-25.6	171.8	0	0	0	0	0	111.9	D78	D78-A80 PolarHBondContact O-N 2.94Å; D78-A80 VanDerWaalsContact O-N 3.11Å; D78-A80 PolarHBondContact OD1-N 2.95Å
81	R	79.5	Confident	93	Very high	209 Å²	209	64 Å²	64	79%	0.789	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112	-34.3	-175.5	-59.2	-174.9	84.6	168.9	4.9	113.7	D78	D78-R81 PolarHBondContact O-N 2.99Å; D78-R81 WeakPolarHBondContact OD2-CD 3.25Å; D78-R81 WeakPolarHBondContact OD2-CG 3.07Å
82	T	88.8	Confident	93.2	Very high	82 Å²	82	60.5 Å²	60.5	50%	0.503	30%	0.302	S	S	.	.	S	Bend	trans	-137.6	-179.6	-172.6	58.6	0	0	0	0	112.2	D78	D78-T82 PolarHBondContact O-N 2.99Å; D78-T82 PolarHBondContact O-OG1 2.87Å
83	V	90.3	Very high	93.4	Very high	67 Å²	67	57.9 Å²	57.9	41%	0.406	29%	0.289	S	S	.	.	S	Bend	trans	-58.7	157.6	169.5	-66.8	0	0	0	0	112.7	W144 P145 D189	V83-W144 HydrophobicContact CB-CH2 4.17Å; V83-W144 HydrophobicContact CB-CZ2 4.4Å; V83-W144 HydrophobicContact CG1-CH2 3.62Å; V83-W144 HydrophobicContact CG1-CZ2 3.54Å; V83-W144 HydrophobicContact CG1-CZ3 4.46Å; V83-P145 HydrophobicContact CG1-CB 3.62Å; V83-P145 HydrophobicContact CG1-CG 4.07Å; V83-D189 HydrophobicContact CB-CB 4.03Å; V83-D189 VanDerWaalsContact CB-OD2 3.32Å; V83-D189 WeakPolarHBondContact CB-OD2 3.29Å; V83-D189 HydrophobicContact CG1-CB 4.45Å
84	G	95.1	Very high	93.5	Very high	3 Å²	3	58 Å²	58	3%	0.031	29%	0.288	C	S	.	.			trans	156.9	-151.5	174.6	0	0	0	0	0	114.4	G76 D187 D188 D189 D190	G76-G84 CarbonylContact O-C 3.58Å; G76-G84 WeakPolarHBondContact O-CA 3.49Å; G84-D187 WeakPolarHBondContact CA-O 3.19Å; G84-D188 CarbonylContact C-O 3.37Å; G84-D189 PolarHBondContact N-OD2 3.26Å; G84-D189 WeakPolarHBondContact O-CA 3.44Å; G84-D190 PolarHBondContact O-N 2.93Å; G84-D190 VanDerWaalsContact O-N 3.1Å; G84-D190 VanDerWaalsContact O-OD1 3.1Å
85	G	95.1	Very high	93.6	Very high	0 Å²	0	55 Å²	55	0%	0	28%	0.277	C	S	.	.	B	Isolated β-bridge	trans	85.9	2.6	175	0	0	0	0	0	115.7	G76 Q87 K88	G76-G85 PolarHBondContact O-N 2.69Å; G85-Q87 PolarHBondContact O-N 2.73Å; G85-Q87 VanDerWaalsContact O-N 3.11Å; G85-K88 WeakPolarHBondContact O-CB 3.47Å; G85-K88 WeakPolarHBondContact O-CG 3.35Å; G85-K88 PolarHBondContact O-N 2.95Å
86	G	97.3	Very high	93.7	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-54.7	-28.5	177.5	0	0	0	0	0	115.2	K88 V89 R90 W182 D186 D188	G86-K88 PolarHBondContact O-N 3.23Å; G86-V89 WeakPolarHBondContact O-CB 3.37Å; G86-V89 PolarHBondContact O-N 2.93Å; G86-R90 PolarHBondContact O-N 3.32Å; G86-W182 WeakPolarHBondContact O-CZ2 3.38Å; G86-D186 CarbonylContact C-O 3.59Å; G86-D186 WeakPolarHBondContact CA-O 3.27Å; G86-D186 PolarHBondContact N-O 3.09Å; G86-D186 VanDerWaalsContact N-O 3.12Å; G86-D188 WeakPolarHBondContact CA-O 3.35Å; G86-D188 PolarHBondContact N-O 2.97Å
87	Q	97.9	Very high	93.9	Very high	3 Å²	3	52.2 Å²	52.2	1%	0.014	27%	0.27	C	S	.	.	H	α-helix	trans	-53.8	-36	171.9	-165.7	179.9	21.9	0	0	112.1	E73 W74 G85 V89 R90 W91 D186	E73-Q87 PolarHBondContact O-NE2 2.8Å; W74-Q87 HydrophobicContact CZ3-CB 4.41Å; G85-Q87 PolarHBondContact O-N 2.73Å; G85-Q87 VanDerWaalsContact O-N 3.11Å; Q87-V89 PolarHBondContact O-N 3.05Å; Q87-R90 PolarHBondContact O-N 3.06Å; Q87-W91 HydrophobicContact CG-CD2 4.06Å; Q87-W91 HydrophobicContact CG-CE3 4.01Å; Q87-W91 HydrophobicContact CG-CH2 3.76Å; Q87-W91 HydrophobicContact CG-CZ2 3.81Å; Q87-W91 HydrophobicContact CG-CZ3 3.85Å; Q87-W91 PolarHBondContact O-N 2.88Å; Q87-D186 HydrophobicContact CB-CB 3.98Å; Q87-D186 HydrophobicContact CG-CB 4.35Å; Q87-D186 PolarHBondContact N-O 2.77Å
88	K	98.1	Very high	94.2	Very high	21 Å²	21	56.5 Å²	56.5	9%	0.091	28%	0.279	C	S	.	.	H	α-helix	trans	-60.1	-46.8	175	-60.1	-173.9	-66.4	173.6	0	110.7	V43 W74 G85 G86 W91 L92 F109 D111 D190	V43-K88 HydrophobicContact CB-CD 4.4Å; V43-K88 HydrophobicContact CB-CG 4.07Å; V43-K88 HydrophobicContact CG1-CG 4.07Å; V43-K88 HydrophobicContact CG2-CB 3.97Å; V43-K88 HydrophobicContact CG2-CG 3.99Å; W74-K88 HydrophobicContact CH2-CD 4.18Å; W74-K88 HydrophobicContact CH2-CG 3.79Å; W74-K88 HydrophobicContact CZ3-CG 3.93Å; G85-K88 WeakPolarHBondContact O-CB 3.47Å; G85-K88 WeakPolarHBondContact O-CG 3.35Å; G85-K88 PolarHBondContact O-N 2.95Å; G86-K88 PolarHBondContact O-N 3.23Å; K88-W91 PolarHBondContact O-N 2.98Å; K88-L92 VanDerWaalsContact O-CB 3.29Å; K88-L92 WeakPolarHBondContact O-CB 3.32Å; K88-L92 PolarHBondContact O-N 3.5Å; K88-F109 HydrophobicContact CB-CZ 4.24Å; K88-F109 HydrophobicContact CD-CZ 4.44Å; K88-D111 IonicContact NZ-OD1 2.8Å; K88-D111 PolarHBondContact NZ-OD1 3.06Å; K88-D111 IonicContact NZ-OD2 3.77Å; K88-D111 PolarHBondContact NZ-OD2 2.87Å; K88-D190 WeakPolarHBondContact CE-OD2 3.41Å; K88-D190 IonicContact NZ-OD2 2.71Å; K88-D190 PolarHBondContact NZ-OD2 3.07Å
89	V	98.3	Very high	94.6	Very high	1 Å²	1	54.5 Å²	54.5	1%	0.006	27%	0.266	C	S	.	.	H	α-helix	trans	-66.6	-39.1	-179.8	-168.9	0	0	0	0	110.9	G86 Q87 L92 K93 W182 D190 F193 Y194	G86-V89 WeakPolarHBondContact O-CB 3.37Å; G86-V89 PolarHBondContact O-N 2.93Å; Q87-V89 PolarHBondContact O-N 3.05Å; V89-L92 PolarHBondContact O-N 2.99Å; V89-K93 WeakPolarHBondContact O-CB 3.35Å; V89-K93 PolarHBondContact O-N 3.37Å; V89-W182 HydrophobicContact CB-CD2 3.71Å; V89-W182 HydrophobicContact CB-CE3 3.74Å; V89-W182 HydrophobicContact CB-CG 4.11Å; V89-W182 HydrophobicContact CB-CZ3 4.17Å; V89-W182 HydrophobicContact CG1-CB 3.7Å; V89-W182 HydrophobicContact CG1-CD2 3.63Å; V89-W182 HydrophobicContact CG1-CE3 3.58Å; V89-W182 HydrophobicContact CG1-CG 3.7Å; V89-W182 HydrophobicContact CG1-CZ3 4.41Å; V89-W182 HydrophobicContact CG2-CE3 4.08Å; V89-W182 HydrophobicContact CG2-CZ3 4.09Å; V89-D190 HydrophobicContact CG2-CB 3.51Å; V89-F193 HydrophobicContact CG1-CD1 4.04Å; V89-F193 HydrophobicContact CG1-CE1 3.74Å; V89-F193 HydrophobicContact CG1-CZ 4.49Å; V89-Y194 HydrophobicContact CG2-CE2 3.85Å
90	R	98.4	Very high	95	Very high	90 Å²	90	51.9 Å²	51.9	34%	0.34	25%	0.252	S	S	.	.	H	α-helix	trans	-60.1	-48.4	174.6	-179.6	178.1	60.5	78.5	-7.6	111.9	G86 Q87 K93 K94 D186	G86-R90 PolarHBondContact O-N 3.32Å; Q87-R90 PolarHBondContact O-N 3.06Å; R90-K93 PolarHBondContact O-N 2.9Å; R90-K94 PolarHBondContact O-N 3.34Å; R90-K94 VanDerWaalsContact O-N 3.14Å; R90-D186 VanDerWaalsContact CD-OD1 3.3Å; R90-D186 WeakPolarHBondContact CD-OD1 3.23Å; R90-D186 IonicContact CZ-OD1 2.71Å; R90-D186 IonicContact CZ-OD2 3.88Å; R90-D186 IonicContact NE-OD1 2.85Å; R90-D186 PolarHBondContact NE-OD1 3.18Å; R90-D186 IonicContact NE-OD2 3.49Å; R90-D186 PolarHBondContact NE-OD2 3.19Å; R90-D186 IonicContact NH2-OD1 3.92Å; R90-D186 IonicContact NH2-OD2 3.49Å; R90-D186 PolarHBondContact NH2-OD2 3.44Å
91	W	98.4	Very high	95.7	Very high	30 Å²	30	54.8 Å²	54.8	11%	0.114	26%	0.255	C	S	.	.	H	α-helix	trans	-65.1	-44.2	177.7	-73	-37.9	0	0	0	112.1	V43 T45 L68 E72 W74 Q87 K88 K93 K94 E95	V43-W91 HydrophobicContact CG1-CE3 3.58Å; V43-W91 HydrophobicContact CG1-CZ3 3.43Å; V43-W91 VanDerWaalsContact CG1-CZ3 3.43Å; V43-W91 HydrophobicContact CG2-CE3 4.24Å; T45-W91 HydrophobicContact CG2-CH2 3.78Å; T45-W91 HydrophobicContact CG2-CZ3 4.15Å; L68-W91 HydrophobicContact CB-CB 4.34Å; L68-W91 HydrophobicContact CD1-CB 4.37Å; E72-W91 HydrophobicContact CB-CH2 4.09Å; E72-W91 HydrophobicContact CB-CZ2 3.64Å; E72-W91 HydrophobicContact CG-CZ2 4.04Å; W74-W91 HydrophobicContact CE3-CZ3 4.41Å; W74-W91 HydrophobicContact CZ3-CZ3 4.37Å; Q87-W91 HydrophobicContact CG-CD2 4.06Å; Q87-W91 HydrophobicContact CG-CE3 4.01Å; Q87-W91 HydrophobicContact CG-CH2 3.76Å; Q87-W91 HydrophobicContact CG-CZ2 3.81Å; Q87-W91 HydrophobicContact CG-CZ3 3.85Å; Q87-W91 PolarHBondContact O-N 2.88Å; K88-W91 PolarHBondContact O-N 2.98Å; W91-K93 PolarHBondContact O-N 3.21Å; W91-K94 PolarHBondContact O-N 3.11Å; W91-E95 PolarHBondContact O-N 2.8Å
92	L	98.4	Very high	96.4	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.005	23%	0.234	C	C	.	.	H	α-helix	trans	-61.3	-44	176.7	-177.9	61.5	0	0	0	111.4	M41 K88 V89 K94 E95 M96 F109 F168 V179	M41-L92 HydrophobicContact CB-CD1 4.37Å; M41-L92 HydrophobicContact SD-CD1 3.57Å; M41-L92 VanDerWaalsContact SD-CD1 3.57Å; K88-L92 VanDerWaalsContact O-CB 3.29Å; K88-L92 WeakPolarHBondContact O-CB 3.32Å; K88-L92 PolarHBondContact O-N 3.5Å; V89-L92 PolarHBondContact O-N 2.99Å; L92-K94 VanDerWaalsContact C-N 3.3Å; L92-K94 PolarHBondContact O-N 2.93Å; L92-E95 PolarHBondContact O-N 3.29Å; L92-M96 HydrophobicContact CD1-CG 3.94Å; L92-M96 HydrophobicContact CD1-SD 4.43Å; L92-M96 HydrophobicContact CG-CG 4.12Å; L92-M96 VanDerWaalsContact O-CB 3.3Å; L92-M96 WeakPolarHBondContact O-CB 3.38Å; L92-M96 WeakPolarHBondContact O-CG 3.09Å; L92-M96 PolarHBondContact O-N 3.23Å; L92-F109 HydrophobicContact CD1-CD2 3.96Å; L92-F109 HydrophobicContact CD2-CB 4.39Å; L92-F109 HydrophobicContact CD2-CD2 3.68Å; L92-F109 HydrophobicContact CD2-CE2 4.14Å; L92-F109 HydrophobicContact CD2-CG 4.04Å; L92-F109 HydrophobicContact CG-CD2 4.33Å; L92-F168 HydrophobicContact CD2-CE2 4.2Å; L92-F168 HydrophobicContact CD2-CZ 3.66Å; L92-V179 HydrophobicContact CD2-CG1 3.88Å; L92-V179 HydrophobicContact CG-CG1 4.25Å
93	K	98.4	Very high	96.4	Very high	61 Å²	61	49.7 Å²	49.7	27%	0.265	23%	0.23	S	C	.	.	H	α-helix	trans	-53.1	-49	173.9	171.4	-179.9	177.8	179.1	0	111.1	V89 R90 W91 M96 E97 V179 R180 W182	V89-K93 WeakPolarHBondContact O-CB 3.35Å; V89-K93 PolarHBondContact O-N 3.37Å; R90-K93 PolarHBondContact O-N 2.9Å; W91-K93 PolarHBondContact O-N 3.21Å; K93-M96 PolarHBondContact O-N 3.28Å; K93-E97 PolarHBondContact O-N 2.8Å; K93-V179 HydrophobicContact CB-CB 4.32Å; K93-V179 HydrophobicContact CB-CG2 4.31Å; K93-V179 WeakPolarHBondContact CD-O 3.26Å; K93-R180 WeakPolarHBondContact CE-O 3.49Å; K93-R180 PolarHBondContact NZ-O 2.94Å; K93-W182 HydrophobicContact CD-CB 4.25Å; K93-W182 PolarHBondContact NZ-O 2.58Å
94	K	98	Very high	96.4	Very high	131 Å²	131	49.9 Å²	49.9	57%	0.57	23%	0.229	S	C	*	.	H	α-helix	trans	-64.1	-41.3	-178.8	-176.3	61.3	-172.9	165.7	0	111.9	R90 W91 L92 E97	R90-K94 PolarHBondContact O-N 3.34Å; R90-K94 VanDerWaalsContact O-N 3.14Å; W91-K94 PolarHBondContact O-N 3.11Å; L92-K94 VanDerWaalsContact C-N 3.3Å; L92-K94 PolarHBondContact O-N 2.93Å; K94-E97 WeakPolarHBondContact CD-OE2 3.31Å; K94-E97 IonicContact NZ-OE2 2.77Å; K94-E97 PolarHBondContact NZ-OE2 3.26Å
95	E	98.2	Very high	96.4	Very high	17 Å²	17	50.6 Å²	50.6	8%	0.079	23%	0.232	C	C	.	.	H	α-helix	trans	-68.4	-38.4	178.5	-171.6	62	-158.2	0	0	112	M41 R66 L68 W91 L92 E97 K98 Y99	M41-E95 HydrophobicContact CE-CG 3.72Å; M41-E95 HydrophobicContact SD-CG 4.04Å; R66-E95 IonicContact NE-OE1 2.73Å; L68-E95 HydrophobicContact CD1-CB 4.06Å; L68-E95 HydrophobicContact CD1-CG 4.44Å; L68-E95 HydrophobicContact CD2-CB 4.17Å; L68-E95 HydrophobicContact CD2-CG 3.97Å; W91-E95 PolarHBondContact O-N 2.8Å; L92-E95 PolarHBondContact O-N 3.29Å; E95-E97 PolarHBondContact O-N 3.12Å; E95-K98 PolarHBondContact O-N 3.34Å; E95-K98 IonicContact OE1-NZ 3.22Å; E95-K98 PolarHBondContact OE1-NZ 2.99Å; E95-K98 IonicContact OE2-NZ 2.74Å; E95-K98 PolarHBondContact OE2-NZ 3.13Å; E95-Y99 HydrophobicContact CG-CE2 4.26Å
96	M	98.2	Very high	96.6	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-66.4	-17.1	-179.4	-75.9	-56.2	-49.8	0	0	114.2	M41 L92 K93 K98 Y99 A100 I107 A172 I175 H176 V179	M41-M96 HydrophobicContact CE-SD 4.29Å; M41-M96 HydrophobicContact SD-SD 4.26Å; L92-M96 HydrophobicContact CD1-CG 3.94Å; L92-M96 HydrophobicContact CD1-SD 4.43Å; L92-M96 HydrophobicContact CG-CG 4.12Å; L92-M96 VanDerWaalsContact O-CB 3.3Å; L92-M96 WeakPolarHBondContact O-CB 3.38Å; L92-M96 WeakPolarHBondContact O-CG 3.09Å; L92-M96 PolarHBondContact O-N 3.23Å; K93-M96 PolarHBondContact O-N 3.28Å; M96-K98 PolarHBondContact O-N 3.19Å; M96-Y99 PolarHBondContact O-N 2.95Å; M96-Y99 VanDerWaalsContact O-N 3.1Å; M96-Y99 HydrophobicContact SD-CD2 4.43Å; M96-A100 PolarHBondContact O-N 2.99Å; M96-I107 HydrophobicContact CE-CD1 3.73Å; M96-I107 HydrophobicContact SD-CD1 3.41Å; M96-I107 WeakPolarHBondContact SD-CD1 3.25Å; M96-A172 HydrophobicContact CE-CB 4.04Å; M96-A172 WeakPolarHBondContact CE-O 3.25Å; M96-I175 HydrophobicContact CE-CB 4.07Å; M96-I175 HydrophobicContact CE-CG2 3.97Å; M96-I175 HydrophobicContact CG-CG2 4.04Å; M96-I175 HydrophobicContact SD-CG2 3.93Å; M96-H176 HydrophobicContact CB-CB 4.37Å; M96-H176 HydrophobicContact CE-CB 3.94Å; M96-H176 PolarHBondContact O-ND1 3.38Å; M96-V179 HydrophobicContact CB-CG2 3.83Å; M96-V179 HydrophobicContact CG-CG2 3.84Å
97	E	97.3	Very high	96.6	Very high	93 Å²	93	50.8 Å²	50.8	44%	0.435	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-57.3	-32.2	172.4	-69.2	172.8	-177.6	0	0	112.1	K93 K94 E95 Y99	K93-E97 PolarHBondContact O-N 2.8Å; K94-E97 WeakPolarHBondContact CD-OE2 3.31Å; K94-E97 IonicContact NZ-OE2 2.77Å; K94-E97 PolarHBondContact NZ-OE2 3.26Å; E95-E97 PolarHBondContact O-N 3.12Å; E97-Y99 VanDerWaalsContact C-N 3.25Å; E97-Y99 PolarHBondContact O-N 3.48Å
98	K	97.2	Very high	96.7	Very high	123 Å²	123	50.6 Å²	50.6	54%	0.535	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	-70.1	-21.8	178.8	-59.6	172.1	-173.3	166	0	113.4	E95 M96	E95-K98 PolarHBondContact O-N 3.34Å; E95-K98 IonicContact OE1-NZ 3.22Å; E95-K98 PolarHBondContact OE1-NZ 2.99Å; E95-K98 IonicContact OE2-NZ 2.74Å; E95-K98 PolarHBondContact OE2-NZ 3.13Å; M96-K98 PolarHBondContact O-N 3.19Å
99	Y	96.7	Very high	96.7	Very high	42 Å²	42	49.8 Å²	49.8	17%	0.165	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-117.4	12.6	-172.2	-48.9	-75.3	0	0	0	112.5	L39 M41 E95 M96 E97 D101 R102 M105 I107	L39-Y99 HydrophobicContact CD2-CE2 4.41Å; M41-Y99 HydrophobicContact CE-CD2 3.85Å; M41-Y99 HydrophobicContact CE-CE2 3.43Å; M41-Y99 VanDerWaalsContact CE-CE2 3.43Å; E95-Y99 HydrophobicContact CG-CE2 4.26Å; M96-Y99 PolarHBondContact O-N 2.95Å; M96-Y99 VanDerWaalsContact O-N 3.1Å; M96-Y99 HydrophobicContact SD-CD2 4.43Å; E97-Y99 VanDerWaalsContact C-N 3.25Å; E97-Y99 PolarHBondContact O-N 3.48Å; Y99-D101 PolarHBondContact O-N 3.2Å; Y99-D101 VanDerWaalsContact O-N 3.12Å; Y99-R102 HydrophobicContact CD1-CG 4.45Å; Y99-R102 PolarHBondContact O-N 3.44Å; Y99-R102 VanDerWaalsContact O-N 3.08Å; Y99-M105 HydrophobicContact CD1-CE 3.78Å; Y99-M105 HydrophobicContact CD1-SD 3.58Å; Y99-M105 VanDerWaalsContact CD1-SD 3.58Å; Y99-M105 HydrophobicContact CE1-CE 3.75Å; Y99-M105 HydrophobicContact CE1-SD 3.95Å; Y99-I107 HydrophobicContact CD2-CD1 4.16Å; Y99-I107 HydrophobicContact CG-CD1 4.23Å
100	A	94.8	Very high	96.8	Very high	22 Å²	22	49.7 Å²	49.7	18%	0.182	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-31.8	-173.7	0	0	0	0	0	114	M96 T173	M96-A100 PolarHBondContact O-N 2.99Å; A100-T173 WeakPolarHBondContact O-CG2 3.44Å
101	D	94.9	Very high	96.8	Very high	155 Å²	155	46.6 Å²	46.6	83%	0.829	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-109.3	9.1	-178.1	-55.2	-48.8	0	0	0	113.3	Y99 E103	Y99-D101 PolarHBondContact O-N 3.2Å; Y99-D101 VanDerWaalsContact O-N 3.12Å; D101-E103 PolarHBondContact O-N 3.19Å
102	R	94.1	Very high	96.7	Very high	93 Å²	93	45.3 Å²	45.3	35%	0.351	21%	0.214	S	C	.	.			trans	-91.1	77.1	-174.9	-66.2	-63.3	-57.8	-79.6	-4.4	112	Y99 D104 M105 A172	Y99-R102 HydrophobicContact CD1-CG 4.45Å; Y99-R102 PolarHBondContact O-N 3.44Å; Y99-R102 VanDerWaalsContact O-N 3.08Å; R102-D104 IonicContact CZ-OD1 2.94Å; R102-D104 IonicContact CZ-OD2 3.34Å; R102-D104 IonicContact NE-OD1 3.62Å; R102-D104 PolarHBondContact NE-OD1 3.28Å; R102-D104 IonicContact NE-OD2 3.71Å; R102-D104 IonicContact NH2-OD1 3.25Å; R102-D104 PolarHBondContact NH2-OD1 2.94Å; R102-D104 IonicContact NH2-OD2 2.94Å; R102-D104 PolarHBondContact NH2-OD2 3.35Å; R102-D104 PolarHBondContact O-N 3.34Å; R102-M105 HydrophobicContact CB-CB 4.14Å; R102-M105 HydrophobicContact CB-CG 4.1Å; R102-M105 HydrophobicContact CB-SD 4.12Å; R102-M105 HydrophobicContact CG-SD 4.25Å; R102-M105 PolarHBondContact NH2-SD 3.19Å; R102-M105 PolarHBondContact O-N 3.27Å; R102-A172 HydrophobicContact CB-CB 4.49Å
103	E	90.1	Very high	96.7	Very high	90 Å²	90	49.2 Å²	49.2	42%	0.421	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-21.4	178.9	-167	66.1	-164.9	0	0	113.1	D101 M105 R134 T173	D101-E103 PolarHBondContact O-N 3.19Å; E103-M105 VanDerWaalsContact C-N 3.33Å; E103-R134 IonicContact OE1-CZ 3.95Å; E103-R134 VanDerWaalsContact OE1-CZ 3.3Å; E103-R134 IonicContact OE1-NH1 3.67Å; E103-R134 PolarHBondContact OE1-NH1 2.98Å; E103-R134 IonicContact OE1-NH2 2.87Å; E103-R134 PolarHBondContact OE1-NH2 3.34Å; E103-R134 IonicContact OE2-NH2 3.9Å; E103-R134 PolarHBondContact OE2-NH2 2.92Å; E103-T173 HydrophobicContact CB-CG2 4.22Å; E103-T173 WeakPolarHBondContact OE2-CB 3.44Å; E103-T173 WeakPolarHBondContact OE2-CG2 3.33Å; E103-T173 PolarHBondContact OE2-OG1 3.3Å
104	D	88.7	Confident	96.7	Very high	71 Å²	71	46.9 Å²	46.9	38%	0.38	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80	-11.4	178.3	69.8	-50.3	0	0	0	113.9	K37 R102	K37-D104 WeakPolarHBondContact CB-O 3.27Å; K37-D104 WeakPolarHBondContact CD-OD2 3.37Å; K37-D104 WeakPolarHBondContact CE-OD2 3.36Å; K37-D104 IonicContact NZ-OD2 3.74Å; K37-D104 PolarHBondContact NZ-OD2 2.84Å; R102-D104 IonicContact CZ-OD1 2.94Å; R102-D104 IonicContact CZ-OD2 3.34Å; R102-D104 IonicContact NE-OD1 3.62Å; R102-D104 PolarHBondContact NE-OD1 3.28Å; R102-D104 IonicContact NE-OD2 3.71Å; R102-D104 IonicContact NH2-OD1 3.25Å; R102-D104 PolarHBondContact NH2-OD1 2.94Å; R102-D104 IonicContact NH2-OD2 2.94Å; R102-D104 PolarHBondContact NH2-OD2 3.35Å; R102-D104 PolarHBondContact O-N 3.34Å
105	M	96.7	Very high	96.7	Very high	19 Å²	19	40.6 Å²	40.6	9%	0.094	19%	0.192	C	C	.	.			trans	-99.5	137.7	-176.6	-73.7	-171.4	65.2	0	0	112.4	L39 Y99 R102 E103 A172	L39-M105 HydrophobicContact CB-CE 4.26Å; L39-M105 HydrophobicContact CD2-CE 4.35Å; Y99-M105 HydrophobicContact CD1-CE 3.78Å; Y99-M105 HydrophobicContact CD1-SD 3.58Å; Y99-M105 VanDerWaalsContact CD1-SD 3.58Å; Y99-M105 HydrophobicContact CE1-CE 3.75Å; Y99-M105 HydrophobicContact CE1-SD 3.95Å; R102-M105 HydrophobicContact CB-CB 4.14Å; R102-M105 HydrophobicContact CB-CG 4.1Å; R102-M105 HydrophobicContact CB-SD 4.12Å; R102-M105 HydrophobicContact CG-SD 4.25Å; R102-M105 PolarHBondContact NH2-SD 3.19Å; R102-M105 PolarHBondContact O-N 3.27Å; E103-M105 VanDerWaalsContact C-N 3.33Å; M105-A172 HydrophobicContact CB-CB 4.02Å; M105-A172 PolarHBondContact O-N 2.99Å
106	I	98.3	Very high	96.8	Very high	3 Å²	3	39.8 Å²	39.8	2%	0.015	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	131.5	170.7	-66.3	170	0	0	0	107.7	V33 K37 L38 L39 L125 F128 I169 G170 F171	V33-I106 HydrophobicContact CG1-CD1 3.9Å; K37-I106 PolarHBondContact O-N 2.73Å; L38-I106 WeakPolarHBondContact CA-O 3.43Å; L38-I106 HydrophobicContact CD1-CB 4.39Å; L38-I106 HydrophobicContact CD1-CG2 3.9Å; L39-I106 PolarHBondContact N-O 3.17Å; I106-L125 HydrophobicContact CB-CD2 4.21Å; I106-L125 HydrophobicContact CD1-CD2 3.6Å; I106-L125 HydrophobicContact CG2-CD2 4.03Å; I106-F128 HydrophobicContact CD1-CD1 3.85Å; I106-F128 HydrophobicContact CD1-CE1 3.8Å; I106-F128 HydrophobicContact CG1-CE1 4.16Å; I106-F128 HydrophobicContact CG2-CD1 4.34Å; I106-F128 HydrophobicContact CG2-CE1 4.28Å; I106-I169 HydrophobicContact CG2-CD1 3.8Å; I106-I169 HydrophobicContact CG2-CG1 3.59Å; I106-G170 WeakPolarHBondContact CA-O 3.44Å; I106-F171 HydrophobicContact CD1-CE1 4.46Å; I106-F171 HydrophobicContact CG1-CD1 4.17Å; I106-F171 HydrophobicContact CG1-CE1 4.24Å
107	I	98.6	Very high	96.8	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	133	178.6	-67.4	169.9	0	0	0	107.9	L39 M41 M96 Y99 I169 G170 A172 I175	L39-I107 HydrophobicContact CB-CG1 4.33Å; L39-I107 VanDerWaalsContact O-CA 3.32Å; L39-I107 WeakPolarHBondContact O-CA 3.32Å; M41-I107 HydrophobicContact CB-CG2 4.42Å; M41-I107 HydrophobicContact CE-CD1 3.86Å; M41-I107 HydrophobicContact CE-CG2 4.42Å; M41-I107 HydrophobicContact CG-CG2 4Å; M41-I107 HydrophobicContact SD-CG2 3.99Å; M96-I107 HydrophobicContact CE-CD1 3.73Å; M96-I107 HydrophobicContact SD-CD1 3.41Å; M96-I107 WeakPolarHBondContact SD-CD1 3.25Å; Y99-I107 HydrophobicContact CD2-CD1 4.16Å; Y99-I107 HydrophobicContact CG-CD1 4.23Å; I107-I169 WeakPolarHBondContact O-CA 3.34Å; I107-G170 PolarHBondContact N-O 3.34Å; I107-G170 PolarHBondContact O-N 3.38Å; I107-A172 HydrophobicContact CD1-CB 3.66Å; I107-A172 HydrophobicContact CG1-CB 4.26Å; I107-I175 HydrophobicContact CB-CD1 3.81Å; I107-I175 HydrophobicContact CG2-CD1 4.14Å; I107-I175 WeakPolarHBondContact O-CD1 3.34Å
108	M	98.8	Very high	96.8	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	120.1	167.6	-177.9	176.9	74.3	0	0	108.2	L38 L39 V40 M41 V110 L117 L124 F168 I169 F218 V250	L38-M108 HydrophobicContact CD1-CB 4.41Å; L39-M108 PolarHBondContact O-N 2.71Å; V40-M108 CarbonylContact C-O 3.5Å; V40-M108 WeakPolarHBondContact CA-O 3.41Å; V40-M108 HydrophobicContact CB-CE 4.43Å; V40-M108 HydrophobicContact CG1-CE 3.92Å; V40-M108 HydrophobicContact CG2-CE 3.66Å; M41-M108 PolarHBondContact N-O 2.85Å; M108-V110 HydrophobicContact CE-CG1 4.1Å; M108-V110 HydrophobicContact CG-CG1 4.04Å; M108-V110 HydrophobicContact SD-CG1 4.19Å; M108-L117 HydrophobicContact CE-CD2 4.15Å; M108-L124 HydrophobicContact CE-CD2 4.1Å; M108-L124 HydrophobicContact SD-CD1 4.12Å; M108-L124 HydrophobicContact SD-CD2 3.64Å; M108-F168 CarbonylContact C-O 3.52Å; M108-F168 VanDerWaalsContact CA-O 3.27Å; M108-F168 WeakPolarHBondContact CA-O 3.47Å; M108-F168 WeakPolarHBondContact CG-O 3.28Å; M108-I169 HydrophobicContact CB-CB 4.09Å; M108-I169 HydrophobicContact CB-CD1 4.23Å; M108-I169 HydrophobicContact CB-CG1 4.06Å; M108-I169 HydrophobicContact CG-CB 4.11Å; M108-F218 HydrophobicContact CG-CE1 4.39Å; M108-F218 HydrophobicContact CG-CZ 4.45Å; M108-F218 HydrophobicContact SD-CE1 4.15Å; M108-F218 HydrophobicContact SD-CZ 4.42Å; M108-V250 HydrophobicContact CE-CG2 4.22Å; M108-V250 HydrophobicContact SD-CG2 3.87Å
109	F	98.9	Very high	96.9	Very high	3 Å²	3	29.5 Å²	29.5	1%	0.013	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	135.3	167.2	-176.5	-92.1	0	0	0	109.3	M41 V43 K88 L92 G167 F168	M41-F109 HydrophobicContact CB-CD2 4.25Å; M41-F109 VanDerWaalsContact O-CA 3.32Å; M41-F109 WeakPolarHBondContact O-CA 3.01Å; V43-F109 HydrophobicContact CG2-CE2 4Å; V43-F109 HydrophobicContact CG2-CZ 4.09Å; K88-F109 HydrophobicContact CB-CZ 4.24Å; K88-F109 HydrophobicContact CD-CZ 4.44Å; L92-F109 HydrophobicContact CD1-CD2 3.96Å; L92-F109 HydrophobicContact CD2-CB 4.39Å; L92-F109 HydrophobicContact CD2-CD2 3.68Å; L92-F109 HydrophobicContact CD2-CE2 4.14Å; L92-F109 HydrophobicContact CD2-CG 4.04Å; L92-F109 HydrophobicContact CG-CD2 4.33Å; F109-G167 WeakPolarHBondContact O-CA 3.43Å; F109-F168 HydrophobicContact CB-CD1 4.22Å; F109-F168 HydrophobicContact CB-CD2 3.88Å; F109-F168 HydrophobicContact CB-CE1 3.77Å; F109-F168 HydrophobicContact CB-CE2 3.38Å; F109-F168 HydrophobicContact CB-CG 4.28Å; F109-F168 HydrophobicContact CB-CZ 3.32Å; F109-F168 HydrophobicContact CD1-CD1 4.2Å; F109-F168 AromaticContact CD1-CE1 3.48Å; F109-F168 HydrophobicContact CD1-CE1 3.48Å; F109-F168 VanDerWaalsContact CD1-CE1 3.48Å; F109-F168 AromaticContact CD1-CZ 3.74Å; F109-F168 HydrophobicContact CD1-CZ 3.74Å; F109-F168 HydrophobicContact CE1-CE1 4.39Å; F109-F168 AromaticContact CG-CE1 3.86Å; F109-F168 HydrophobicContact CG-CE1 3.86Å; F109-F168 HydrophobicContact CG-CE2 4.19Å; F109-F168 AromaticContact CG-CZ 3.62Å; F109-F168 HydrophobicContact CG-CZ 3.62Å; F109-F168 PolarHBondContact N-O 2.99Å; F109-F168 PolarHBondContact O-N 3.27Å
110	V	98.8	Very high	96.9	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	152.6	170.9	-69.3	0	0	0	0	110.2	V40 M41 T42 F54 M108 V115 G166 F218 V250	V40-V110 HydrophobicContact CG1-CG2 3.94Å; M41-V110 PolarHBondContact O-N 3.26Å; M41-V110 VanDerWaalsContact O-N 3.08Å; T42-V110 WeakPolarHBondContact CA-O 3.47Å; T42-V110 WeakPolarHBondContact CB-O 3.34Å; T42-V110 PolarHBondContact OG1-O 3.22Å; F54-V110 HydrophobicContact CE2-CG2 3.66Å; F54-V110 HydrophobicContact CZ-CG2 3.77Å; M108-V110 HydrophobicContact CE-CG1 4.1Å; M108-V110 HydrophobicContact CG-CG1 4.04Å; M108-V110 HydrophobicContact SD-CG1 4.19Å; V110-V115 HydrophobicContact CB-CG1 4.33Å; V110-G166 CarbonylContact C-O 3.57Å; V110-G166 VanDerWaalsContact CA-O 3.27Å; V110-G166 WeakPolarHBondContact CA-O 3.48Å; V110-F218 HydrophobicContact CG1-CE1 4.35Å; V110-V250 HydrophobicContact CG1-CG1 3.98Å; V110-V250 HydrophobicContact CG1-CG2 4.37Å
111	D	98.4	Very high	97.1	Very high	24 Å²	24	28.9 Å²	28.9	13%	0.128	14%	0.142	C	C	.	.			trans	-64.4	166.8	162.3	-71.8	-23.6	0	0	0	110.5	K88 V115 G166 H252	K88-D111 IonicContact NZ-OD1 2.8Å; K88-D111 PolarHBondContact NZ-OD1 3.06Å; K88-D111 IonicContact NZ-OD2 3.77Å; K88-D111 PolarHBondContact NZ-OD2 2.87Å; D111-V115 HydrophobicContact CB-CG2 4.03Å; D111-V115 WeakPolarHBondContact O-CB 3.32Å; D111-V115 WeakPolarHBondContact O-CG2 3.27Å; D111-G166 PolarHBondContact N-O 2.98Å; D111-G166 WeakPolarHBondContact OD2-CA 3.29Å; D111-H252 IonicContact OD2-NE2 3.24Å
112	S	97.9	Very high	97.3	Very high	3 Å²	3	25 Å²	25	2%	0.021	13%	0.127	C	C	.	.	S	Bend	trans	-123.2	-36.6	-175.5	63	0	0	0	0	115.5	T42 V43 F54 D114	T42-S112 VanDerWaalsContact OG1-CB 3.29Å; T42-S112 WeakPolarHBondContact OG1-CB 3.35Å; T42-S112 PolarHBondContact OG1-N 2.56Å; V43-S112 PolarHBondContact O-OG 3.02Å; F54-S112 VanDerWaalsContact CB-O 3.28Å; F54-S112 WeakPolarHBondContact CB-O 3.34Å; S112-D114 PolarHBondContact O-N 2.91Å
113	Y	97.9	Very high	97.4	Very high	83 Å²	83	22.6 Å²	22.6	33%	0.325	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-31.1	-174.2	-69	-1.3	0	0	0	111.9	A44 T45 A46 T48 G50 R53	A44-Y113 HydrophobicContact CB-CE1 3.83Å; T45-Y113 PolarHBondContact N-OH 2.87Å; T45-Y113 PolarHBondContact OG1-OH 3.43Å; T45-Y113 VanDerWaalsContact OG1-OH 3.11Å; A46-Y113 PolarHBondContact N-OH 2.88Å; A46-Y113 PolarHBondContact O-OH 3.5Å; T48-Y113 HydrophobicContact CG2-CD1 4.37Å; T48-Y113 HydrophobicContact CG2-CE1 3.82Å; T48-Y113 HydrophobicContact CG2-CE2 3.99Å; T48-Y113 WeakPolarHBondContact OG1-CD1 3.3Å; T48-Y113 VanDerWaalsContact OG1-CE1 3.3Å; T48-Y113 WeakPolarHBondContact OG1-CE1 3.15Å; G50-Y113 VanDerWaalsContact CA-O 3.26Å; G50-Y113 WeakPolarHBondContact CA-O 3.36Å; R53-Y113 PolarHBondContact NH2-O 2.9Å
114	D	98	Very high	97.8	Very high	12 Å²	12	18.3 Å²	18.3	6%	0.064	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-130	38.1	-176.2	66.2	-49.6	0	0	0	112.5	S112 H252 G253 K258 L261	S112-D114 PolarHBondContact O-N 2.91Å; D114-H252 IonicContact OD2-CD2 2.91Å; D114-H252 PolarHBondContact OD2-CD2 3.31Å; D114-H252 IonicContact OD2-NE2 2.79Å; D114-H252 PolarHBondContact OD2-NE2 2.85Å; D114-G253 PolarHBondContact O-N 3.17Å; D114-G253 VanDerWaalsContact OD2-C 3.29Å; D114-G253 VanDerWaalsContact OD2-O 3.09Å; D114-K258 HydrophobicContact CB-CD 3.62Å; D114-K258 IonicContact OD1-NZ 3.6Å; D114-K258 IonicContact OD2-NZ 3.33Å; D114-K258 PolarHBondContact OD2-NZ 3.32Å; D114-L261 HydrophobicContact CB-CD2 3.85Å; D114-L261 WeakPolarHBondContact O-CD2 3.4Å
115	V	98.8	Very high	98.3	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	142.1	173.5	175.7	0	0	0	0	110.7	F54 V110 D111 V250 V251 H252	F54-V115 WeakPolarHBondContact CB-O 3.49Å; F54-V115 HydrophobicContact CD2-CB 4.18Å; F54-V115 HydrophobicContact CD2-CG1 4.04Å; F54-V115 HydrophobicContact CE2-CG1 4.2Å; V110-V115 HydrophobicContact CB-CG1 4.33Å; D111-V115 HydrophobicContact CB-CG2 4.03Å; D111-V115 WeakPolarHBondContact O-CB 3.32Å; D111-V115 WeakPolarHBondContact O-CG2 3.27Å; V115-V250 HydrophobicContact CG1-CG1 3.58Å; V115-V251 VanDerWaalsContact CA-O 3.32Å; V115-V251 WeakPolarHBondContact CA-O 3.33Å; V115-H252 HydrophobicContact CG2-CB 4.2Å
116	I	98.8	Very high	98.4	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	144.3	166.7	63.4	-177.9	0	0	0	110.3	R53 V251 L261 L264 V268	R53-I116 HydrophobicContact CG-CG2 3.87Å; I116-V251 HydrophobicContact CD1-CB 4.41Å; I116-V251 HydrophobicContact CG1-CB 3.77Å; I116-V251 HydrophobicContact CG1-CG2 4.08Å; I116-V251 PolarHBondContact N-O 3.44Å; I116-V251 PolarHBondContact O-N 3.08Å; I116-L261 HydrophobicContact CD1-CD1 4.03Å; I116-L261 HydrophobicContact CG1-CD1 3.96Å; I116-L264 HydrophobicContact CD1-CB 4.39Å; I116-V268 HydrophobicContact CD1-CB 3.83Å; I116-V268 HydrophobicContact CD1-CG1 3.97Å; I116-V268 HydrophobicContact CG1-CG1 4.49Å
117	L	98.8	Very high	98.4	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	131.6	175.4	-57.7	-173.9	0	0	0	110.1	F54 S57 A58 F61 Y63 M108 V250	F54-L117 HydrophobicContact CE2-CD1 4.26Å; F54-L117 HydrophobicContact CE2-CD2 4.3Å; F54-L117 HydrophobicContact CE2-CG 4.1Å; S57-L117 PolarHBondContact OG-N 2.82Å; A58-L117 HydrophobicContact CB-CD1 3.77Å; F61-L117 HydrophobicContact CD2-CB 4.44Å; F61-L117 WeakPolarHBondContact CE2-O 3.44Å; Y63-L117 HydrophobicContact CD2-CD1 3.55Å; Y63-L117 HydrophobicContact CE2-CB 4.41Å; Y63-L117 HydrophobicContact CE2-CD1 3.7Å; Y63-L117 HydrophobicContact CG-CD1 4Å; M108-L117 HydrophobicContact CE-CD2 4.15Å; L117-V250 HydrophobicContact CD2-CB 4.46Å; L117-V250 HydrophobicContact CD2-CG1 4.37Å; L117-V250 HydrophobicContact CD2-CG2 3.87Å
118	A	98.5	Very high	98.4	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.113	C	C	.	.			trans	-121	-0.9	-174.1	0	0	0	0	0	113.4	R238 V249 V251 V268	A118-R238 WeakPolarHBondContact O-CD 3.34Å; A118-R238 PolarHBondContact O-NE 2.95Å; A118-V249 PolarHBondContact N-O 2.92Å; A118-V251 HydrophobicContact CB-CG2 4.15Å; A118-V268 HydrophobicContact CB-CG1 3.56Å
119	G	97.9	Very high	98.3	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.129	C	C	.	.	S	Bend	trans	-145.7	159.3	-179	0	0	0	0	0	113	Y63 V249	Y63-G119 VanDerWaalsContact CE2-O 3.25Å; Y63-G119 WeakPolarHBondContact CE2-O 3.1Å; Y63-G119 PolarHBondContact OH-O 2.88Å; G119-V249 PolarHBondContact N-O 2.8Å
120	S	98.2	Very high	98.2	Very high	37 Å²	37	31.1 Å²	31.1	26%	0.259	16%	0.159	S	C	.	.			trans	-79.3	157.9	-174.1	67.7	0	0	0	0	113.7	Y63 S122 E123 L124	Y63-S120 PolarHBondContact OH-O 3.23Å; S120-S122 PolarHBondContact O-N 3Å; S120-E123 PolarHBondContact O-N 3.26Å; S120-E123 VanDerWaalsContact O-N 3.07Å; S120-E123 PolarHBondContact OG-N 2.98Å; S120-L124 PolarHBondContact O-N 3.38Å
121	P	98.4	Very high	98.1	Very high	13 Å²	13	33.4 Å²	33.4	8%	0.084	18%	0.175	C	C	.	.	H	α-helix	trans	-52.2	-40.6	175.1	-27.9	32.2	0	0	0	113.5	P35 L38 F61 Y63 E123 L124 L125	P35-P121 HydrophobicContact CB-CB 4.15Å; L38-P121 HydrophobicContact CD2-CB 3.97Å; F61-P121 VanDerWaalsContact O-CD 3.25Å; F61-P121 WeakPolarHBondContact O-CD 3.49Å; Y63-P121 HydrophobicContact CD1-CB 4.36Å; Y63-P121 HydrophobicContact CD1-CG 3.72Å; Y63-P121 HydrophobicContact CD2-CG 4.15Å; Y63-P121 HydrophobicContact CE1-CB 3.99Å; Y63-P121 HydrophobicContact CE1-CG 3.62Å; Y63-P121 HydrophobicContact CE2-CG 4.05Å; Y63-P121 HydrophobicContact CG-CG 3.99Å; P121-E123 PolarHBondContact O-N 2.73Å; P121-L124 WeakPolarHBondContact O-CB 3.49Å; P121-L124 PolarHBondContact O-N 3.15Å; P121-L125 WeakPolarHBondContact O-CB 3.36Å; P121-L125 VanDerWaalsContact O-CG 3.31Å; P121-L125 WeakPolarHBondContact O-CG 3.29Å; P121-L125 PolarHBondContact O-N 3.02Å
122	S	97.7	Very high	98.1	Very high	74 Å²	74	35.2 Å²	35.2	52%	0.517	20%	0.199	S	C	.	.	H	α-helix	trans	-65.5	-38.6	179.6	-49.6	0	0	0	0	112.5	S120 K126	S120-S122 PolarHBondContact O-N 3Å; S122-K126 VanDerWaalsContact O-CB 3.3Å; S122-K126 WeakPolarHBondContact O-CB 3.31Å; S122-K126 PolarHBondContact O-N 3.13Å; S122-K126 VanDerWaalsContact O-N 3.11Å
123	E	98	Very high	98	Very high	43 Å²	43	35.4 Å²	35.4	20%	0.201	20%	0.2	C	C	.	.	H	α-helix	trans	-68.6	-43.6	175.2	-176.6	-172.8	143.1	0	0	111.1	S120 P121 K126 K127 R238	S120-E123 PolarHBondContact O-N 3.26Å; S120-E123 VanDerWaalsContact O-N 3.07Å; S120-E123 PolarHBondContact OG-N 2.98Å; P121-E123 PolarHBondContact O-N 2.73Å; E123-K126 PolarHBondContact O-N 2.75Å; E123-K127 HydrophobicContact CG-CD 4.22Å; E123-K127 WeakPolarHBondContact O-CG 3.41Å; E123-K127 PolarHBondContact O-N 3.39Å; E123-K127 WeakPolarHBondContact OE1-CE 3.46Å; E123-K127 IonicContact OE1-NZ 3.76Å; E123-K127 PolarHBondContact OE1-NZ 3.47Å; E123-R238 VanDerWaalsContact CD-NH1 3.31Å; E123-R238 IonicContact OE1-CZ 3.76Å; E123-R238 IonicContact OE1-NH1 2.73Å; E123-R238 PolarHBondContact OE1-NH1 3.11Å; E123-R238 VanDerWaalsContact OE1-NH1 3.11Å; E123-R238 IonicContact OE1-NH2 3.55Å; E123-R238 PolarHBondContact OE1-NH2 3.39Å; E123-R238 IonicContact OE2-CZ 2.97Å; E123-R238 IonicContact OE2-NH1 3.65Å; E123-R238 PolarHBondContact OE2-NH1 3Å; E123-R238 IonicContact OE2-NH2 2.99Å
124	L	98.6	Very high	98	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-55.6	-54.7	176.8	177.3	60.9	0	0	0	111.4	L38 Y63 M108 S120 P121 K126 K127 F128 I169 I217 V249	L38-L124 HydrophobicContact CD1-CD2 4.42Å; L38-L124 HydrophobicContact CD2-CD2 3.76Å; Y63-L124 HydrophobicContact CE1-CD2 3.83Å; M108-L124 HydrophobicContact CE-CD2 4.1Å; M108-L124 HydrophobicContact SD-CD1 4.12Å; M108-L124 HydrophobicContact SD-CD2 3.64Å; S120-L124 PolarHBondContact O-N 3.38Å; P121-L124 WeakPolarHBondContact O-CB 3.49Å; P121-L124 PolarHBondContact O-N 3.15Å; L124-K126 VanDerWaalsContact C-N 3.34Å; L124-K126 PolarHBondContact O-N 2.96Å; L124-K127 PolarHBondContact O-N 2.64Å; L124-F128 WeakPolarHBondContact O-CB 3.3Å; L124-F128 PolarHBondContact O-N 3.17Å; L124-I169 HydrophobicContact CD1-CD1 3.87Å; L124-I169 HydrophobicContact CD2-CD1 3.92Å; L124-I169 HydrophobicContact CG-CD1 3.72Å; L124-I217 HydrophobicContact CD1-CB 4.45Å; L124-I217 HydrophobicContact CD1-CD1 4.14Å; L124-I217 HydrophobicContact CD1-CG1 4.34Å; L124-I217 HydrophobicContact CD1-CG2 3.34Å; L124-V249 HydrophobicContact CB-CG1 4.12Å; L124-V249 HydrophobicContact CD1-CB 4.33Å; L124-V249 HydrophobicContact CD1-CG1 4.1Å; L124-V249 HydrophobicContact CD1-CG2 4.46Å
125	L	98.2	Very high	98.1	Very high	4 Å²	4	34.3 Å²	34.3	2%	0.021	19%	0.194	C	C	.	.	H	α-helix	trans	-62.8	-40.5	-179.1	-70.9	174.7	0	0	0	111.9	V33 L38 I106 P121 K127 F128 V129	V33-L125 HydrophobicContact CB-CB 4.41Å; V33-L125 HydrophobicContact CB-CD1 4.22Å; V33-L125 HydrophobicContact CG1-CD1 4.08Å; V33-L125 HydrophobicContact CG1-CD2 4.27Å; L38-L125 HydrophobicContact CB-CD1 4.29Å; L38-L125 HydrophobicContact CB-CD2 4.37Å; L38-L125 HydrophobicContact CD1-CD2 4.25Å; I106-L125 HydrophobicContact CB-CD2 4.21Å; I106-L125 HydrophobicContact CD1-CD2 3.6Å; I106-L125 HydrophobicContact CG2-CD2 4.03Å; P121-L125 WeakPolarHBondContact O-CB 3.36Å; P121-L125 VanDerWaalsContact O-CG 3.31Å; P121-L125 WeakPolarHBondContact O-CG 3.29Å; P121-L125 PolarHBondContact O-N 3.02Å; L125-K127 PolarHBondContact O-N 2.93Å; L125-F128 PolarHBondContact O-N 3.29Å; L125-V129 WeakPolarHBondContact O-CG2 3Å; L125-V129 PolarHBondContact O-N 2.99Å
126	K	98	Very high	98.1	Very high	133 Å²	133	34.6 Å²	34.6	58%	0.578	20%	0.196	S	C	*	.	H	α-helix	trans	-57.8	-48.3	174.5	178.9	-178.7	177.4	-179	0	111.2	S122 E123 L124 V129 Q130	S122-K126 VanDerWaalsContact O-CB 3.3Å; S122-K126 WeakPolarHBondContact O-CB 3.31Å; S122-K126 PolarHBondContact O-N 3.13Å; S122-K126 VanDerWaalsContact O-N 3.11Å; E123-K126 PolarHBondContact O-N 2.75Å; L124-K126 VanDerWaalsContact C-N 3.34Å; L124-K126 PolarHBondContact O-N 2.96Å; K126-V129 PolarHBondContact O-N 2.76Å; K126-Q130 WeakPolarHBondContact O-CB 3.22Å; K126-Q130 VanDerWaalsContact O-CG 3.23Å; K126-Q130 WeakPolarHBondContact O-CG 3.36Å; K126-Q130 PolarHBondContact O-N 3.49Å
127	K	98.5	Very high	98.1	Very high	37 Å²	37	34.7 Å²	34.7	16%	0.161	20%	0.196	C	C	.	.	H	α-helix	trans	-67	-38.8	179.5	-73.3	175.4	170.7	175.1	0	112.3	E123 L124 L125 Q130 S131 R216 I217 L247 V249	E123-K127 HydrophobicContact CG-CD 4.22Å; E123-K127 WeakPolarHBondContact O-CG 3.41Å; E123-K127 PolarHBondContact O-N 3.39Å; E123-K127 WeakPolarHBondContact OE1-CE 3.46Å; E123-K127 IonicContact OE1-NZ 3.76Å; E123-K127 PolarHBondContact OE1-NZ 3.47Å; L124-K127 PolarHBondContact O-N 2.64Å; L125-K127 PolarHBondContact O-N 2.93Å; K127-Q130 PolarHBondContact O-N 2.89Å; K127-S131 PolarHBondContact O-N 3.38Å; K127-R216 WeakPolarHBondContact CD-O 3.27Å; K127-R216 WeakPolarHBondContact CE-O 3.4Å; K127-R216 PolarHBondContact NZ-O 2.96Å; K127-I217 HydrophobicContact CB-CD1 3.8Å; K127-I217 HydrophobicContact CB-CG1 3.68Å; K127-I217 HydrophobicContact CD-CG1 4.1Å; K127-L247 PolarHBondContact NZ-O 2.99Å; K127-V249 HydrophobicContact CD-CG2 4.24Å
128	F	98.4	Very high	98.1	Very high	1 Å²	1	34.7 Å²	34.7	0%	0.004	20%	0.196	C	C	.	.	H	α-helix	trans	-61.6	-48.2	175.3	174.5	-113.2	0	0	0	111.1	I106 L124 L125 Q130 S131 S133 L136 I169 F171 I217	I106-F128 HydrophobicContact CD1-CD1 3.85Å; I106-F128 HydrophobicContact CD1-CE1 3.8Å; I106-F128 HydrophobicContact CG1-CE1 4.16Å; I106-F128 HydrophobicContact CG2-CD1 4.34Å; I106-F128 HydrophobicContact CG2-CE1 4.28Å; L124-F128 WeakPolarHBondContact O-CB 3.3Å; L124-F128 PolarHBondContact O-N 3.17Å; L125-F128 PolarHBondContact O-N 3.29Å; F128-Q130 VanDerWaalsContact C-N 3.31Å; F128-Q130 PolarHBondContact O-N 2.95Å; F128-S131 WeakPolarHBondContact O-CB 3.35Å; F128-S131 PolarHBondContact O-N 3.23Å; F128-S131 VanDerWaalsContact O-N 3.1Å; F128-S131 PolarHBondContact O-OG 3.11Å; F128-S133 WeakPolarHBondContact CZ-O 3.38Å; F128-L136 HydrophobicContact CD2-CB 4.29Å; F128-L136 HydrophobicContact CE2-CB 4.29Å; F128-I169 HydrophobicContact CB-CD1 4.2Å; F128-I169 HydrophobicContact CD2-CG1 4.27Å; F128-I169 HydrophobicContact CD2-CG2 3.72Å; F128-I169 HydrophobicContact CE2-CG2 4.29Å; F128-I169 WeakPolarHBondContact CE2-O 3.32Å; F128-I169 HydrophobicContact CG-CD1 4.23Å; F128-I169 HydrophobicContact CG-CG1 4.33Å; F128-I169 HydrophobicContact CG-CG2 4.36Å; F128-F171 HydrophobicContact CE1-CE2 4.09Å; F128-F171 HydrophobicContact CE1-CZ 4.24Å; F128-F171 HydrophobicContact CZ-CD2 4.27Å; F128-F171 HydrophobicContact CZ-CE2 4.1Å; F128-I217 HydrophobicContact CB-CD1 4.19Å
129	V	97.1	Very high	98.1	Very high	56 Å²	56	34.8 Å²	34.8	34%	0.339	20%	0.197	S	C	.	.	H	α-helix	trans	-60.7	-40.8	175.5	172.8	0	0	0	0	111.9	V33 L125 K126 S131 G132	V33-V129 HydrophobicContact CG2-CG2 3.69Å; L125-V129 WeakPolarHBondContact O-CG2 3Å; L125-V129 PolarHBondContact O-N 2.99Å; K126-V129 PolarHBondContact O-N 2.76Å; V129-S131 PolarHBondContact O-N 3.4Å; V129-G132 PolarHBondContact O-N 3.3Å; V129-G132 VanDerWaalsContact O-N 3.14Å
130	Q	97.5	Very high	98.1	Very high	134 Å²	134	35.2 Å²	35.2	63%	0.626	20%	0.199	S	C	*	.	H	α-helix	trans	-63.3	-26.5	177	-76.2	175	-23.7	0	0	113.7	K126 K127 F128 G132	K126-Q130 WeakPolarHBondContact O-CB 3.22Å; K126-Q130 VanDerWaalsContact O-CG 3.23Å; K126-Q130 WeakPolarHBondContact O-CG 3.36Å; K126-Q130 PolarHBondContact O-N 3.49Å; K127-Q130 PolarHBondContact O-N 2.89Å; F128-Q130 VanDerWaalsContact C-N 3.31Å; F128-Q130 PolarHBondContact O-N 2.95Å; Q130-G132 PolarHBondContact O-N 2.73Å
131	S	97.3	Very high	98.1	Very high	48 Å²	48	35.2 Å²	35.2	34%	0.336	20%	0.199	S	C	.	.	H	α-helix	trans	-67.6	-22.9	175.7	78.2	0	0	0	0	113.2	K127 F128 V129 S133	K127-S131 PolarHBondContact O-N 3.38Å; F128-S131 WeakPolarHBondContact O-CB 3.35Å; F128-S131 PolarHBondContact O-N 3.23Å; F128-S131 VanDerWaalsContact O-N 3.1Å; F128-S131 PolarHBondContact O-OG 3.11Å; V129-S131 PolarHBondContact O-N 3.4Å; S131-S133 PolarHBondContact O-N 3.24Å; S131-S133 VanDerWaalsContact O-N 3.14Å; S131-S133 WeakPolarHBondContact OG-CB 3.05Å; S131-S133 PolarHBondContact OG-N 2.79Å; S131-S133 VanDerWaalsContact OG-N 3.12Å
132	G	96.8	Very high	98	Very high	62 Å²	62	39.4 Å²	39.4	64%	0.639	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.7	0.5	-172.3	0	0	0	0	0	114.8	V129 Q130	V129-G132 PolarHBondContact O-N 3.3Å; V129-G132 VanDerWaalsContact O-N 3.14Å; Q130-G132 PolarHBondContact O-N 2.73Å
133	S	97.5	Very high	98	Very high	6 Å²	6	36.7 Å²	36.7	4%	0.042	20%	0.197	C	C	.	.			trans	-75.7	155	-179.9	-168.7	0	0	0	0	112	F128 S131 L135 L136 S208 N210	F128-S133 WeakPolarHBondContact CZ-O 3.38Å; S131-S133 PolarHBondContact O-N 3.24Å; S131-S133 VanDerWaalsContact O-N 3.14Å; S131-S133 WeakPolarHBondContact OG-CB 3.05Å; S131-S133 PolarHBondContact OG-N 2.79Å; S131-S133 VanDerWaalsContact OG-N 3.12Å; S133-L135 PolarHBondContact OG-N 3.34Å; S133-L135 PolarHBondContact OG-O 3.06Å; S133-L135 VanDerWaalsContact OG-O 3.05Å; S133-L136 PolarHBondContact OG-N 2.92Å; S133-S208 PolarHBondContact OG-O 2.86Å; S133-N210 WeakPolarHBondContact CA-OD1 3.21Å; S133-N210 WeakPolarHBondContact CB-OD1 3.34Å; S133-N210 PolarHBondContact OG-OD1 2.91Å
134	R	97.9	Very high	98	Very high	71 Å²	71	39.9 Å²	39.9	27%	0.268	21%	0.208	S	C	.	.	S	Bend	trans	-96.5	-25.3	167	-67.7	-173.4	59.4	86	8.1	112.7	E103 G170 F171 T174 L207 S208	E103-R134 IonicContact OE1-CZ 3.95Å; E103-R134 VanDerWaalsContact OE1-CZ 3.3Å; E103-R134 IonicContact OE1-NH1 3.67Å; E103-R134 PolarHBondContact OE1-NH1 2.98Å; E103-R134 IonicContact OE1-NH2 2.87Å; E103-R134 PolarHBondContact OE1-NH2 3.34Å; E103-R134 IonicContact OE2-NH2 3.9Å; E103-R134 PolarHBondContact OE2-NH2 2.92Å; R134-G170 CarbonylContact O-C 3.59Å; R134-G170 WeakPolarHBondContact O-CA 3.15Å; R134-F171 HydrophobicContact CB-CD2 3.95Å; R134-F171 HydrophobicContact CB-CE2 4.39Å; R134-F171 HydrophobicContact CG-CD2 4.13Å; R134-F171 HydrophobicContact CG-CE2 4.22Å; R134-F171 WeakPolarHBondContact O-CD2 3.34Å; R134-F171 PolarHBondContact O-N 2.88Å; R134-T174 HydrophobicContact CB-CG2 4.24Å; R134-T174 PolarHBondContact NE-OG1 2.92Å; R134-T174 PolarHBondContact NH2-OG1 2.94Å; R134-T174 VanDerWaalsContact NH2-OG1 3.09Å; R134-L207 WeakPolarHBondContact CB-O 3.37Å; R134-S208 PolarHBondContact N-O 3.21Å
135	L	98.7	Very high	97.8	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.005	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	108.4	171.8	173.8	56.1	0	0	0	108.7	S133 F137 F168 I169 T174 I175 I178 L209 N210	S133-L135 PolarHBondContact OG-N 3.34Å; S133-L135 PolarHBondContact OG-O 3.06Å; S133-L135 VanDerWaalsContact OG-O 3.05Å; L135-F137 HydrophobicContact CD1-CE2 4.37Å; L135-F137 HydrophobicContact CD2-CE2 3.66Å; L135-F137 HydrophobicContact CD2-CZ 3.8Å; L135-F137 HydrophobicContact CG-CD2 4.21Å; L135-F137 HydrophobicContact CG-CE2 3.63Å; L135-F137 HydrophobicContact CG-CZ 4.1Å; L135-F168 HydrophobicContact CD1-CB 4.24Å; L135-F168 HydrophobicContact CD1-CD2 3.86Å; L135-F168 HydrophobicContact CD1-CG 4.43Å; L135-I169 WeakPolarHBondContact CA-O 3.36Å; L135-T174 HydrophobicContact CB-CG2 3.79Å; L135-T174 HydrophobicContact CD2-CG2 4.42Å; L135-I175 HydrophobicContact CD1-CD1 4.21Å; L135-I175 HydrophobicContact CD1-CG1 3.67Å; L135-I175 HydrophobicContact CD2-CG1 4.23Å; L135-I178 HydrophobicContact CD2-CG1 3.86Å; L135-L209 HydrophobicContact CB-CD2 3.79Å; L135-L209 HydrophobicContact CD2-CD2 3.91Å; L135-L209 HydrophobicContact CG-CD2 4.17Å; L135-L209 WeakPolarHBondContact O-CA 3.37Å; L135-N210 PolarHBondContact O-N 2.9Å; L135-N210 VanDerWaalsContact O-N 3.07Å
136	L	98.9	Very high	97.8	Very high	6 Å²	6	44.9 Å²	44.9	3%	0.031	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	115.8	-178.1	-176.2	71.8	0	0	0	109.4	F128 S133 F168 I169 N210 D212 I217	F128-L136 HydrophobicContact CD2-CB 4.29Å; F128-L136 HydrophobicContact CE2-CB 4.29Å; S133-L136 PolarHBondContact OG-N 2.92Å; L136-F168 CarbonylContact O-C 3.56Å; L136-F168 VanDerWaalsContact O-CA 3.26Å; L136-F168 WeakPolarHBondContact O-CA 3.16Å; L136-F168 WeakPolarHBondContact O-CB 3.5Å; L136-I169 HydrophobicContact CB-CG2 4.18Å; L136-I169 PolarHBondContact N-O 3Å; L136-I169 PolarHBondContact O-N 2.74Å; L136-N210 WeakPolarHBondContact CA-O 3.49Å; L136-N210 HydrophobicContact CD1-CB 3.75Å; L136-D212 HydrophobicContact CD1-CB 4.29Å; L136-D212 HydrophobicContact CD2-CB 4.16Å; L136-D212 HydrophobicContact CG-CB 4.23Å; L136-I217 HydrophobicContact CD2-CD1 3.84Å
137	F	98.9	Very high	97.7	Very high	3 Å²	3	48.8 Å²	48.8	1%	0.013	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	155.2	171.3	-69.8	-93.4	0	0	0	111.3	L135 L163 F168 Y194 N210 L211 D212	L135-F137 HydrophobicContact CD1-CE2 4.37Å; L135-F137 HydrophobicContact CD2-CE2 3.66Å; L135-F137 HydrophobicContact CD2-CZ 3.8Å; L135-F137 HydrophobicContact CG-CD2 4.21Å; L135-F137 HydrophobicContact CG-CE2 3.63Å; L135-F137 HydrophobicContact CG-CZ 4.1Å; F137-L163 HydrophobicContact CB-CD1 4Å; F137-L163 HydrophobicContact CB-CG 3.98Å; F137-L163 HydrophobicContact CD1-CD1 3.82Å; F137-L163 HydrophobicContact CD1-CD2 4.25Å; F137-L163 HydrophobicContact CD1-CG 4.08Å; F137-L163 HydrophobicContact CD2-CD1 3.9Å; F137-L163 HydrophobicContact CE1-CD1 4.27Å; F137-L163 HydrophobicContact CE2-CD1 4.32Å; F137-L163 HydrophobicContact CG-CD1 3.63Å; F137-L163 HydrophobicContact CG-CG 4.04Å; F137-L163 HydrophobicContact CZ-CD1 4.5Å; F137-F168 HydrophobicContact CB-CB 4.37Å; F137-F168 HydrophobicContact CD1-CB 3.52Å; F137-F168 AromaticContact CD1-CD1 3.82Å; F137-F168 HydrophobicContact CD1-CD1 3.82Å; F137-F168 AromaticContact CD1-CG 3.89Å; F137-F168 HydrophobicContact CD1-CG 3.89Å; F137-F168 HydrophobicContact CE1-CB 3.9Å; F137-F168 AromaticContact CE1-CD1 3.67Å; F137-F168 HydrophobicContact CE1-CD1 3.67Å; F137-F168 HydrophobicContact CE1-CD2 4.49Å; F137-F168 HydrophobicContact CE1-CE1 4.27Å; F137-F168 AromaticContact CE1-CG 3.78Å; F137-F168 HydrophobicContact CE1-CG 3.78Å; F137-F168 HydrophobicContact CG-CB 3.97Å; F137-Y194 AromaticContact CE1-CD1 3.71Å; F137-Y194 HydrophobicContact CE1-CD1 3.71Å; F137-Y194 HydrophobicContact CE1-CE1 4.28Å; F137-Y194 AromaticContact CE1-CG 3.88Å; F137-Y194 HydrophobicContact CE1-CG 3.88Å; F137-Y194 AromaticContact CZ-CD1 3.78Å; F137-Y194 HydrophobicContact CZ-CD1 3.78Å; F137-Y194 HydrophobicContact CZ-CE1 4.4Å; F137-Y194 HydrophobicContact CZ-CG 4.33Å; F137-N210 PolarHBondContact N-O 3.24Å; F137-L211 HydrophobicContact CB-CD2 3.76Å; F137-L211 CarbonylContact O-C 3.4Å; F137-L211 WeakPolarHBondContact O-CA 3.39Å; F137-D212 PolarHBondContact O-N 3.46Å
138	S	98.8	Very high	97.6	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	151.9	165.7	77	0	0	0	0	110.8	N164 G167 N220	S138-N164 PolarHBondContact O-N 3.23Å; S138-N164 VanDerWaalsContact OG-CB 3.3Å; S138-N164 WeakPolarHBondContact OG-CB 3.18Å; S138-N164 PolarHBondContact OG-O 3.48Å; S138-N164 PolarHBondContact OG-OD1 3.11Å; S138-G167 VanDerWaalsContact CB-O 3.28Å; S138-G167 WeakPolarHBondContact CB-O 3.46Å; S138-G167 PolarHBondContact N-O 3.1Å; S138-G167 PolarHBondContact OG-O 3.33Å; S138-N220 WeakPolarHBondContact CB-ND2 3.34Å; S138-N220 PolarHBondContact OG-ND2 3.33Å; S138-N220 VanDerWaalsContact OG-ND2 3.1Å
139	A	98.8	Very high	97.6	Very high	1 Å²	1	50.2 Å²	50.2	1%	0.008	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	148.6	178.9	0	0	0	0	0	110.8	K160 F162 L211 D212 N220	A139-K160 HydrophobicContact CB-CB 3.65Å; A139-F162 CarbonylContact C-O 3.59Å; A139-F162 WeakPolarHBondContact CA-O 3.5Å; A139-L211 HydrophobicContact CB-CB 4.03Å; A139-D212 WeakPolarHBondContact CB-O 3.25Å; A139-N220 PolarHBondContact O-ND2 3.11Å
140	E	98.1	Very high	97.6	Very high	9 Å²	9	48.8 Å²	48.8	4%	0.042	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	171.3	177.9	69.6	166.7	100.9	0	0	113.3	F142 F162 N164 Q191 N220	E140-F142 WeakPolarHBondContact CG-O 3.15Å; E140-F162 PolarHBondContact N-O 3.07Å; E140-F162 PolarHBondContact O-N 2.86Å; E140-N164 HydrophobicContact CB-CB 4.15Å; E140-N164 HydrophobicContact CG-CB 3.97Å; E140-N164 VanDerWaalsContact OE1-CB 3.25Å; E140-N164 WeakPolarHBondContact OE1-CB 3.48Å; E140-N164 PolarHBondContact OE1-ND2 3.07Å; E140-Q191 PolarHBondContact OE1-NE2 3.09Å; E140-Q191 VanDerWaalsContact OE1-NE2 3.15Å; E140-N220 HydrophobicContact CB-CB 4.34Å
141	S	97.4	Very high	97.5	Very high	38 Å²	38	51 Å²	51	27%	0.266	27%	0.27	S	S	.	.	S	Bend	trans	-76.2	-25.8	-177	-61.3	0	0	0	0	113.2	K160 F162 G223	S141-K160 WeakPolarHBondContact OG-CD 3.33Å; S141-K160 WeakPolarHBondContact OG-CE 3.25Å; S141-F162 WeakPolarHBondContact O-CD2 3.41Å; S141-F162 WeakPolarHBondContact O-CE2 3.23Å; S141-G223 PolarHBondContact OG-O 2.99Å
142	F	97.5	Very high	97.6	Very high	100 Å²	100	54.1 Å²	54.1	44%	0.439	28%	0.279	S	S	.	.	S	Bend	trans	-111.3	138.2	-170.6	-55	-71.2	0	0	0	112.3	E140 W144 F162	E140-F142 WeakPolarHBondContact CG-O 3.15Å; F142-W144 PolarHBondContact O-N 3.46Å; F142-F162 WeakPolarHBondContact O-CB 3.34Å
143	C	98.1	Very high	97.6	Very high	18 Å²	18	51.5 Å²	51.5	12%	0.122	25%	0.25	C	C	.	.			trans	-85.4	93.8	169.6	-171.1	0	0	0	0	108.4	E146 W147 A150 F162	C143-E146 PolarHBondContact SG-O 3.4Å; C143-E146 VanDerWaalsContact SG-O 3.36Å; C143-W147 VanDerWaalsContact O-CA 3.25Å; C143-W147 WeakPolarHBondContact O-CA 3.38Å; C143-W147 PolarHBondContact O-N 3.09Å; C143-A150 HydrophobicContact CB-CB 4.01Å; C143-F162 HydrophobicContact CB-CB 4.44Å; C143-F162 HydrophobicContact CB-CD1 3.67Å; C143-F162 HydrophobicContact CB-CD2 3.95Å; C143-F162 HydrophobicContact CB-CE1 3.82Å; C143-F162 HydrophobicContact CB-CE2 4.07Å; C143-F162 HydrophobicContact CB-CG 3.73Å; C143-F162 HydrophobicContact CB-CZ 4Å; C143-F162 VanDerWaalsContact N-CD2 3.3Å
144	W	96.4	Very high	97.6	Very high	110 Å²	110	53.5 Å²	53.5	42%	0.417	26%	0.263	S	S	.	.			trans	-124	144.3	-176	-174.3	95.7	0	0	0	110.7	V83 F142 D189 Q191	V83-W144 HydrophobicContact CB-CH2 4.17Å; V83-W144 HydrophobicContact CB-CZ2 4.4Å; V83-W144 HydrophobicContact CG1-CH2 3.62Å; V83-W144 HydrophobicContact CG1-CZ2 3.54Å; V83-W144 HydrophobicContact CG1-CZ3 4.46Å; F142-W144 PolarHBondContact O-N 3.46Å; W144-D189 WeakPolarHBondContact CH2-OD2 3.44Å; W144-D189 VanDerWaalsContact CZ3-OD2 3.25Å; W144-D189 WeakPolarHBondContact CZ3-OD2 3.32Å; W144-Q191 HydrophobicContact CE3-CB 4.27Å; W144-Q191 HydrophobicContact CE3-CG 4.34Å; W144-Q191 HydrophobicContact CZ3-CB 4.1Å; W144-Q191 PolarHBondContact O-NE2 3.07Å
145	P	95.8	Very high	97.5	Very high	34 Å²	34	57.1 Å²	57.1	22%	0.221	28%	0.283	C	S	.	.	S	Bend	cis	-84.5	-24.5	1.6	31.8	-34.5	0	0	0	114.6	V83 W147 D189 L192	V83-P145 HydrophobicContact CG1-CB 3.62Å; V83-P145 HydrophobicContact CG1-CG 4.07Å; P145-W147 PolarHBondContact O-N 2.94Å; P145-D189 WeakPolarHBondContact CD-OD1 3.47Å; P145-L192 HydrophobicContact CG-CB 3.93Å; P145-L192 HydrophobicContact CG-CD1 4.29Å; P145-L192 HydrophobicContact CG-CD2 4.24Å; P145-L192 HydrophobicContact CG-CG 4.39Å
146	E	96.9	Very high	97.4	Very high	75 Å²	75	58.8 Å²	58.8	35%	0.35	29%	0.293	S	S	.	.			trans	-92.4	93.1	-178.5	-69.8	-179.3	-166.5	0	0	111.1	C143 G148 L149 L192 R196	C143-E146 PolarHBondContact SG-O 3.4Å; C143-E146 VanDerWaalsContact SG-O 3.36Å; E146-G148 PolarHBondContact O-N 2.99Å; E146-L149 HydrophobicContact CB-CD1 3.76Å; E146-L149 HydrophobicContact CB-CG 3.82Å; E146-L149 WeakPolarHBondContact O-CB 3.43Å; E146-L149 PolarHBondContact O-N 2.76Å; E146-L149 VanDerWaalsContact O-N 3.1Å; E146-L192 HydrophobicContact CB-CD1 4.28Å; E146-L192 HydrophobicContact CG-CD1 3.92Å; E146-R196 IonicContact OE1-CZ 3.05Å; E146-R196 IonicContact OE1-NH2 3.3Å; E146-R196 PolarHBondContact OE1-NH2 2.97Å; E146-R196 IonicContact OE2-NH2 3.23Å
147	W	95.6	Very high	97	Very high	214 Å²	214	62.5 Å²	62.5	81%	0.811	33%	0.333	S	S	*	.	G	3₁₀ helix	trans	-60.2	-28.8	-178.4	71	-91.5	0	0	0	113.9	C143 P145 L149 A150	C143-W147 VanDerWaalsContact O-CA 3.25Å; C143-W147 WeakPolarHBondContact O-CA 3.38Å; C143-W147 PolarHBondContact O-N 3.09Å; P145-W147 PolarHBondContact O-N 2.94Å; W147-L149 PolarHBondContact O-N 2.85Å; W147-L149 VanDerWaalsContact O-N 3.17Å; W147-A150 VanDerWaalsContact O-CB 3.27Å; W147-A150 WeakPolarHBondContact O-CB 3.37Å; W147-A150 PolarHBondContact O-N 3.42Å; W147-A150 VanDerWaalsContact O-N 3.14Å
148	G	96.9	Very high	96.5	Very high	47 Å²	47	66.9 Å²	66.9	49%	0.485	36%	0.36	S	S	.	.	G	3₁₀ helix	trans	-65.3	-13.8	177.4	0	0	0	0	0	114.2	E146 A150	E146-G148 PolarHBondContact O-N 2.99Å; G148-A150 PolarHBondContact O-N 2.87Å
149	L	97.8	Very high	96.4	Very high	21 Å²	21	68 Å²	68	11%	0.11	37%	0.371	C	S	.	.	G	3₁₀ helix	trans	-75.7	-10	174.7	-62.4	179.9	0	0	0	113.1	E146 W147 E151 Q152 Y153 L192 T195 L199	E146-L149 HydrophobicContact CB-CD1 3.76Å; E146-L149 HydrophobicContact CB-CG 3.82Å; E146-L149 WeakPolarHBondContact O-CB 3.43Å; E146-L149 PolarHBondContact O-N 2.76Å; E146-L149 VanDerWaalsContact O-N 3.1Å; W147-L149 PolarHBondContact O-N 2.85Å; W147-L149 VanDerWaalsContact O-N 3.17Å; L149-E151 PolarHBondContact O-N 3.1Å; L149-Q152 WeakPolarHBondContact O-CB 3.46Å; L149-Q152 PolarHBondContact O-N 3.12Å; L149-Y153 WeakPolarHBondContact O-CD2 3.47Å; L149-L192 HydrophobicContact CD1-CD1 4.04Å; L149-T195 HydrophobicContact CD1-CG2 3.77Å; L149-L199 HydrophobicContact CB-CD1 3.85Å; L149-L199 HydrophobicContact CD1-CD1 4.12Å; L149-L199 HydrophobicContact CD2-CD1 4.34Å; L149-L199 HydrophobicContact CG-CD1 4.33Å
150	A	97.3	Very high	96.4	Very high	27 Å²	27	68.6 Å²	68.6	22%	0.223	37%	0.373	C	S	.	.	G	3₁₀ helix	trans	-55.3	-36.4	-176.2	0	0	0	0	0	113.4	C143 W147 G148 Q152 Y153 F162	C143-A150 HydrophobicContact CB-CB 4.01Å; W147-A150 VanDerWaalsContact O-CB 3.27Å; W147-A150 WeakPolarHBondContact O-CB 3.37Å; W147-A150 PolarHBondContact O-N 3.42Å; W147-A150 VanDerWaalsContact O-N 3.14Å; G148-A150 PolarHBondContact O-N 2.87Å; A150-Q152 PolarHBondContact O-N 3.16Å; A150-Y153 WeakPolarHBondContact O-CB 3.3Å; A150-Y153 PolarHBondContact O-N 3.37Å; A150-F162 HydrophobicContact CB-CE1 3.69Å; A150-F162 HydrophobicContact CB-CZ 3.91Å
151	E	96.8	Very high	96.4	Very high	179 Å²	179	70.3 Å²	70.3	84%	0.836	38%	0.38	S	S	*	.	G	3₁₀ helix	trans	-65.3	-26	179.2	-66.5	-172.6	172.3	0	0	113.3	L149 Y153	L149-E151 PolarHBondContact O-N 3.1Å; E151-Y153 VanDerWaalsContact C-N 3.33Å
152	Q	97.8	Very high	96.4	Very high	114 Å²	114	70 Å²	70	53%	0.533	37%	0.373	S	S	.	.	G	3₁₀ helix	trans	-81.4	-16.8	-179.4	-58.4	-178.4	33.3	0	0	112.4	L149 A150 L199	L149-Q152 WeakPolarHBondContact O-CB 3.46Å; L149-Q152 PolarHBondContact O-N 3.12Å; A150-Q152 PolarHBondContact O-N 3.16Å; Q152-L199 HydrophobicContact CB-CD1 4.13Å; Q152-L199 HydrophobicContact CB-CD2 3.79Å; Q152-L199 HydrophobicContact CB-CG 4.42Å
153	Y	98.4	Very high	96.5	Very high	7 Å²	7	65.2 Å²	65.2	3%	0.027	35%	0.353	C	S	.	.	S	Bend	trans	-70.1	141.4	176.7	-83.5	-94.8	0	0	0	110.6	L149 A150 E151 E155 R161 F162 L163 T195 Y198 L199 L211	L149-Y153 WeakPolarHBondContact O-CD2 3.47Å; A150-Y153 WeakPolarHBondContact O-CB 3.3Å; A150-Y153 PolarHBondContact O-N 3.37Å; E151-Y153 VanDerWaalsContact C-N 3.33Å; Y153-E155 PolarHBondContact O-N 3.47Å; Y153-R161 WeakPolarHBondContact CD1-O 3.39Å; Y153-R161 PolarHBondContact O-NH2 3.49Å; Y153-F162 HydrophobicContact CD1-CD1 4.13Å; Y153-F162 AromaticContact CD2-CD1 3.65Å; Y153-F162 HydrophobicContact CD2-CD1 3.65Å; Y153-F162 HydrophobicContact CD2-CE1 4.11Å; Y153-F162 HydrophobicContact CE1-CB 4.47Å; Y153-F162 HydrophobicContact CE1-CD1 4.37Å; Y153-F162 AromaticContact CE2-CD1 3.91Å; Y153-F162 HydrophobicContact CE2-CD1 3.91Å; Y153-F162 AromaticContact CG-CD1 3.77Å; Y153-F162 HydrophobicContact CG-CD1 3.77Å; Y153-F162 HydrophobicContact CG-CE1 4.22Å; Y153-L163 HydrophobicContact CE1-CB 4.3Å; Y153-L163 WeakPolarHBondContact OH-CB 3.47Å; Y153-L163 PolarHBondContact OH-N 3.14Å; Y153-T195 HydrophobicContact CE2-CG2 4.12Å; Y153-T195 VanDerWaalsContact OH-CG2 3.24Å; Y153-T195 WeakPolarHBondContact OH-CG2 3.43Å; Y153-T195 PolarHBondContact OH-OG1 3.29Å; Y153-Y198 HydrophobicContact CD1-CD1 4.22Å; Y153-Y198 AromaticContact CD1-CE1 3.88Å; Y153-Y198 HydrophobicContact CD1-CE1 3.88Å; Y153-Y198 AromaticContact CE1-CD1 3.76Å; Y153-Y198 HydrophobicContact CE1-CD1 3.76Å; Y153-Y198 AromaticContact CE1-CE1 3.81Å; Y153-Y198 HydrophobicContact CE1-CE1 3.81Å; Y153-L199 HydrophobicContact CD1-CD2 4.17Å; Y153-L199 HydrophobicContact CD2-CD1 4.34Å; Y153-L199 HydrophobicContact CD2-CD2 3.65Å; Y153-L199 HydrophobicContact CD2-CG 4.44Å; Y153-L199 HydrophobicContact CE1-CD2 4.32Å; Y153-L199 HydrophobicContact CE2-CD1 3.95Å; Y153-L199 HydrophobicContact CE2-CD2 3.84Å; Y153-L199 HydrophobicContact CE2-CG 4.16Å; Y153-L199 HydrophobicContact CG-CD2 3.83Å; Y153-L211 HydrophobicContact CD1-CD1 4.28Å; Y153-L211 HydrophobicContact CE1-CD1 4.03Å
154	P	97.3	Very high	96.5	Very high	48 Å²	48	64.7 Å²	64.7	31%	0.312	35%	0.348	S	S	.	.	P	Polyproline II helix	trans	-54.1	141.4	169.1	-24.5	34.4	0	0	0	111.7	R161	P154-R161 PolarHBondContact O-NE 3.31Å
155	E	96.3	Very high	96.6	Very high	148 Å²	148	59.6 Å²	59.6	69%	0.692	33%	0.33	S	S	*	.	P	Polyproline II helix	trans	-65.4	136.2	171.7	-73.2	-61.9	154.8	0	0	110.4	Y153 R161	Y153-E155 PolarHBondContact O-N 3.47Å; E155-R161 VanDerWaalsContact CD-CZ 3.45Å; E155-R161 IonicContact OE1-CZ 3.62Å; E155-R161 IonicContact OE1-NH1 3.5Å; E155-R161 PolarHBondContact OE1-NH1 3.5Å; E155-R161 IonicContact OE1-NH2 3.84Å; E155-R161 PolarHBondContact OE1-NH2 3.34Å; E155-R161 IonicContact OE2-CZ 2.78Å; E155-R161 IonicContact OE2-NH1 3.73Å; E155-R161 PolarHBondContact OE2-NH1 3.31Å; E155-R161 IonicContact OE2-NH2 2.81Å
156	V	95.3	Very high	96.7	Very high	35 Å²	35	58.1 Å²	58.1	21%	0.212	32%	0.32	C	S	.	.			trans	-125.7	123.8	176.6	-64.4	0	0	0	0	108.7	R161	V156-R161 HydrophobicContact CG2-CB 3.66Å; V156-R161 HydrophobicContact CG2-CG 3.89Å
157	G	90.5	Very high	96.8	Very high	85 Å²	85	54.6 Å²	54.6	88%	0.876	31%	0.305	S	S	*	.	S	Bend	trans	-65.7	-56.2	-174.7	0	0	0	0	0	112.8
158	T	89.8	Confident	97	Very high	95 Å²	95	44.5 Å²	44.5	58%	0.583	27%	0.266	S	S	*	.	S	Bend	trans	-131.3	117.4	174	50.9	0	0	0	0	109.3	K214	T158-K214 WeakPolarHBondContact O-CE 3.32Å; T158-K214 PolarHBondContact OG1-NZ 3.37Å
159	G	95.8	Very high	97.1	Very high	22 Å²	22	42.2 Å²	42.2	23%	0.227	24%	0.243	C	C	.	.	S	Bend	trans	147.6	172.3	-178.4	0	0	0	0	0	112.9	H213 Y244	G159-H213 CarbonylContact C-O 3.56Å; G159-H213 WeakPolarHBondContact CA-O 3.2Å; G159-Y244 WeakPolarHBondContact CA-OH 3.15Å
160	K	98.1	Very high	97.1	Very high	14 Å²	14	41.2 Å²	41.2	6%	0.061	24%	0.238	C	C	.	.			trans	-75.9	130.7	173.5	-59.1	-59.4	-173.8	-86	0	109.9	A139 S141 H213 E227 Y244	A139-K160 HydrophobicContact CB-CB 3.65Å; S141-K160 WeakPolarHBondContact OG-CD 3.33Å; S141-K160 WeakPolarHBondContact OG-CE 3.25Å; K160-H213 PolarHBondContact N-O 3.5Å; K160-H213 PolarHBondContact O-ND1 3.3Å; K160-E227 IonicContact NZ-OE1 3.36Å; K160-E227 PolarHBondContact NZ-OE1 2.86Å; K160-E227 IonicContact NZ-OE2 2.93Å; K160-E227 PolarHBondContact NZ-OE2 2.81Å; K160-Y244 PolarHBondContact NZ-OH 3.49Å
161	R	98.3	Very high	97.1	Very high	46 Å²	46	42 Å²	42	17%	0.174	24%	0.236	C	C	.	.			trans	-92.9	-31.7	-167.7	-173.8	172.9	178.3	171	-0.1	113.9	Y153 P154 E155 V156 L211	Y153-R161 WeakPolarHBondContact CD1-O 3.39Å; Y153-R161 PolarHBondContact O-NH2 3.49Å; P154-R161 PolarHBondContact O-NE 3.31Å; E155-R161 VanDerWaalsContact CD-CZ 3.45Å; E155-R161 IonicContact OE1-CZ 3.62Å; E155-R161 IonicContact OE1-NH1 3.5Å; E155-R161 PolarHBondContact OE1-NH1 3.5Å; E155-R161 IonicContact OE1-NH2 3.84Å; E155-R161 PolarHBondContact OE1-NH2 3.34Å; E155-R161 IonicContact OE2-CZ 2.78Å; E155-R161 IonicContact OE2-NH1 3.73Å; E155-R161 PolarHBondContact OE2-NH1 3.31Å; E155-R161 IonicContact OE2-NH2 2.81Å; V156-R161 HydrophobicContact CG2-CB 3.66Å; V156-R161 HydrophobicContact CG2-CG 3.89Å; R161-L211 VanDerWaalsContact O-CD1 3.23Å; R161-L211 WeakPolarHBondContact O-CD1 3.45Å
162	F	98.8	Very high	97.2	Very high	30 Å²	30	33.5 Å²	33.5	13%	0.132	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	153.8	-164.3	-48.6	-63.2	0	0	0	111.9	A139 E140 S141 F142 C143 A150 Y153	A139-F162 CarbonylContact C-O 3.59Å; A139-F162 WeakPolarHBondContact CA-O 3.5Å; E140-F162 PolarHBondContact N-O 3.07Å; E140-F162 PolarHBondContact O-N 2.86Å; S141-F162 WeakPolarHBondContact O-CD2 3.41Å; S141-F162 WeakPolarHBondContact O-CE2 3.23Å; F142-F162 WeakPolarHBondContact O-CB 3.34Å; C143-F162 HydrophobicContact CB-CB 4.44Å; C143-F162 HydrophobicContact CB-CD1 3.67Å; C143-F162 HydrophobicContact CB-CD2 3.95Å; C143-F162 HydrophobicContact CB-CE1 3.82Å; C143-F162 HydrophobicContact CB-CE2 4.07Å; C143-F162 HydrophobicContact CB-CG 3.73Å; C143-F162 HydrophobicContact CB-CZ 4Å; C143-F162 VanDerWaalsContact N-CD2 3.3Å; A150-F162 HydrophobicContact CB-CE1 3.69Å; A150-F162 HydrophobicContact CB-CZ 3.91Å; Y153-F162 HydrophobicContact CD1-CD1 4.13Å; Y153-F162 AromaticContact CD2-CD1 3.65Å; Y153-F162 HydrophobicContact CD2-CD1 3.65Å; Y153-F162 HydrophobicContact CD2-CE1 4.11Å; Y153-F162 HydrophobicContact CE1-CB 4.47Å; Y153-F162 HydrophobicContact CE1-CD1 4.37Å; Y153-F162 AromaticContact CE2-CD1 3.91Å; Y153-F162 HydrophobicContact CE2-CD1 3.91Å; Y153-F162 AromaticContact CG-CD1 3.77Å; Y153-F162 HydrophobicContact CG-CD1 3.77Å; Y153-F162 HydrophobicContact CG-CE1 4.22Å
163	L	98.8	Very high	97.2	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.005	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	140.8	-178.8	-178.5	152.1	0	0	0	110.9	F137 Y153 Q191 Y198 L211	F137-L163 HydrophobicContact CB-CD1 4Å; F137-L163 HydrophobicContact CB-CG 3.98Å; F137-L163 HydrophobicContact CD1-CD1 3.82Å; F137-L163 HydrophobicContact CD1-CD2 4.25Å; F137-L163 HydrophobicContact CD1-CG 4.08Å; F137-L163 HydrophobicContact CD2-CD1 3.9Å; F137-L163 HydrophobicContact CE1-CD1 4.27Å; F137-L163 HydrophobicContact CE2-CD1 4.32Å; F137-L163 HydrophobicContact CG-CD1 3.63Å; F137-L163 HydrophobicContact CG-CG 4.04Å; F137-L163 HydrophobicContact CZ-CD1 4.5Å; Y153-L163 HydrophobicContact CE1-CB 4.3Å; Y153-L163 WeakPolarHBondContact OH-CB 3.47Å; Y153-L163 PolarHBondContact OH-N 3.14Å; L163-Q191 HydrophobicContact CD2-CG 4.45Å; L163-Q191 PolarHBondContact O-NE2 3.47Å; L163-Y198 HydrophobicContact CD1-CD2 4.46Å; L163-Y198 HydrophobicContact CD1-CG 4.05Å; L163-L211 HydrophobicContact CB-CD1 4.36Å; L163-L211 HydrophobicContact CB-CD2 3.79Å; L163-L211 HydrophobicContact CD1-CD2 3.9Å; L163-L211 HydrophobicContact CG-CD2 3.98Å
164	N	98.8	Very high	97.2	Very high	6 Å²	6	28.4 Å²	28.4	3%	0.032	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	131.8	164.5	179.5	-76.3	0	0	0	110.5	S138 E140 G166 Q191	S138-N164 PolarHBondContact O-N 3.23Å; S138-N164 VanDerWaalsContact OG-CB 3.3Å; S138-N164 WeakPolarHBondContact OG-CB 3.18Å; S138-N164 PolarHBondContact OG-O 3.48Å; S138-N164 PolarHBondContact OG-OD1 3.11Å; E140-N164 HydrophobicContact CB-CB 4.15Å; E140-N164 HydrophobicContact CG-CB 3.97Å; E140-N164 VanDerWaalsContact OE1-CB 3.25Å; E140-N164 WeakPolarHBondContact OE1-CB 3.48Å; E140-N164 PolarHBondContact OE1-ND2 3.07Å; N164-G166 PolarHBondContact OD1-N 3.22Å; N164-Q191 PolarHBondContact ND2-OE1 3.49Å
165	S	98.4	Very high	97.3	Very high	4 Å²	4	26.2 Å²	26.2	3%	0.028	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	-14.5	-174.9	57.2	0	0	0	0	114.8	G167 D190 Q191	S165-G167 PolarHBondContact O-N 3.18Å; S165-G167 VanDerWaalsContact O-N 3.08Å; S165-D190 PolarHBondContact OG-OD2 2.93Å; S165-Q191 WeakPolarHBondContact OG-CB 3.47Å
166	G	97.7	Very high	97.4	Very high	2 Å²	2	20 Å²	20	2%	0.021	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	-3.8	-176.9	0	0	0	0	0	114.3	V110 D111 N164	V110-G166 CarbonylContact C-O 3.57Å; V110-G166 VanDerWaalsContact CA-O 3.27Å; V110-G166 WeakPolarHBondContact CA-O 3.48Å; D111-G166 PolarHBondContact N-O 2.98Å; D111-G166 WeakPolarHBondContact OD2-CA 3.29Å; N164-G166 PolarHBondContact OD1-N 3.22Å
167	G	98.6	Very high	97.5	Very high	2 Å²	2	22.5 Å²	22.5	2%	0.021	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	128.5	171.7	0	0	0	0	0	113.1	F109 S138 S165	F109-G167 WeakPolarHBondContact O-CA 3.43Å; S138-G167 VanDerWaalsContact CB-O 3.28Å; S138-G167 WeakPolarHBondContact CB-O 3.46Å; S138-G167 PolarHBondContact N-O 3.1Å; S138-G167 PolarHBondContact OG-O 3.33Å; S165-G167 PolarHBondContact O-N 3.18Å; S165-G167 VanDerWaalsContact O-N 3.08Å
168	F	98.9	Very high	97.9	Very high	1 Å²	1	18.5 Å²	18.5	0%	0.004	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	154.4	169.5	54.2	-95	0	0	0	112.1	L92 M108 F109 L135 L136 F137 I175 Y194	L92-F168 HydrophobicContact CD2-CE2 4.2Å; L92-F168 HydrophobicContact CD2-CZ 3.66Å; M108-F168 CarbonylContact C-O 3.52Å; M108-F168 VanDerWaalsContact CA-O 3.27Å; M108-F168 WeakPolarHBondContact CA-O 3.47Å; M108-F168 WeakPolarHBondContact CG-O 3.28Å; F109-F168 HydrophobicContact CB-CD1 4.22Å; F109-F168 HydrophobicContact CB-CD2 3.88Å; F109-F168 HydrophobicContact CB-CE1 3.77Å; F109-F168 HydrophobicContact CB-CE2 3.38Å; F109-F168 HydrophobicContact CB-CG 4.28Å; F109-F168 HydrophobicContact CB-CZ 3.32Å; F109-F168 HydrophobicContact CD1-CD1 4.2Å; F109-F168 AromaticContact CD1-CE1 3.48Å; F109-F168 HydrophobicContact CD1-CE1 3.48Å; F109-F168 VanDerWaalsContact CD1-CE1 3.48Å; F109-F168 AromaticContact CD1-CZ 3.74Å; F109-F168 HydrophobicContact CD1-CZ 3.74Å; F109-F168 HydrophobicContact CE1-CE1 4.39Å; F109-F168 AromaticContact CG-CE1 3.86Å; F109-F168 HydrophobicContact CG-CE1 3.86Å; F109-F168 HydrophobicContact CG-CE2 4.19Å; F109-F168 AromaticContact CG-CZ 3.62Å; F109-F168 HydrophobicContact CG-CZ 3.62Å; F109-F168 PolarHBondContact N-O 2.99Å; F109-F168 PolarHBondContact O-N 3.27Å; L135-F168 HydrophobicContact CD1-CB 4.24Å; L135-F168 HydrophobicContact CD1-CD2 3.86Å; L135-F168 HydrophobicContact CD1-CG 4.43Å; L136-F168 CarbonylContact O-C 3.56Å; L136-F168 VanDerWaalsContact O-CA 3.26Å; L136-F168 WeakPolarHBondContact O-CA 3.16Å; L136-F168 WeakPolarHBondContact O-CB 3.5Å; F137-F168 HydrophobicContact CB-CB 4.37Å; F137-F168 HydrophobicContact CD1-CB 3.52Å; F137-F168 AromaticContact CD1-CD1 3.82Å; F137-F168 HydrophobicContact CD1-CD1 3.82Å; F137-F168 AromaticContact CD1-CG 3.89Å; F137-F168 HydrophobicContact CD1-CG 3.89Å; F137-F168 HydrophobicContact CE1-CB 3.9Å; F137-F168 AromaticContact CE1-CD1 3.67Å; F137-F168 HydrophobicContact CE1-CD1 3.67Å; F137-F168 HydrophobicContact CE1-CD2 4.49Å; F137-F168 HydrophobicContact CE1-CE1 4.27Å; F137-F168 AromaticContact CE1-CG 3.78Å; F137-F168 HydrophobicContact CE1-CG 3.78Å; F137-F168 HydrophobicContact CG-CB 3.97Å; F168-I175 HydrophobicContact CD2-CD1 4.48Å; F168-I175 HydrophobicContact CE2-CD1 4.49Å; F168-I175 HydrophobicContact CE2-CG2 4.32Å; F168-Y194 HydrophobicContact CE1-CE1 4.45Å; F168-Y194 HydrophobicContact CE1-CE2 4.18Å; F168-Y194 AromaticContact CE1-CZ 3.96Å; F168-Y194 HydrophobicContact CZ-CE1 4.39Å
169	I	98.9	Very high	98.3	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	135.7	179.4	-176.9	171.4	0	0	0	110.7	L38 I106 I107 M108 L124 F128 L135 L136 I217 F218	L38-I169 HydrophobicContact CD1-CD1 4.28Å; I106-I169 HydrophobicContact CG2-CD1 3.8Å; I106-I169 HydrophobicContact CG2-CG1 3.59Å; I107-I169 WeakPolarHBondContact O-CA 3.34Å; M108-I169 HydrophobicContact CB-CB 4.09Å; M108-I169 HydrophobicContact CB-CD1 4.23Å; M108-I169 HydrophobicContact CB-CG1 4.06Å; M108-I169 HydrophobicContact CG-CB 4.11Å; L124-I169 HydrophobicContact CD1-CD1 3.87Å; L124-I169 HydrophobicContact CD2-CD1 3.92Å; L124-I169 HydrophobicContact CG-CD1 3.72Å; F128-I169 HydrophobicContact CB-CD1 4.2Å; F128-I169 HydrophobicContact CD2-CG1 4.27Å; F128-I169 HydrophobicContact CD2-CG2 3.72Å; F128-I169 HydrophobicContact CE2-CG2 4.29Å; F128-I169 WeakPolarHBondContact CE2-O 3.32Å; F128-I169 HydrophobicContact CG-CD1 4.23Å; F128-I169 HydrophobicContact CG-CG1 4.33Å; F128-I169 HydrophobicContact CG-CG2 4.36Å; L135-I169 WeakPolarHBondContact CA-O 3.36Å; L136-I169 HydrophobicContact CB-CG2 4.18Å; L136-I169 PolarHBondContact N-O 3Å; L136-I169 PolarHBondContact O-N 2.74Å; I169-I217 HydrophobicContact CG2-CD1 4.41Å; I169-F218 HydrophobicContact CB-CZ 4.12Å; I169-F218 HydrophobicContact CG2-CE2 3.87Å; I169-F218 HydrophobicContact CG2-CZ 3.79Å
170	G	98.5	Very high	98.4	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.1	176.5	-179.6	0	0	0	0	0	114.1	I106 I107 R134	I106-G170 WeakPolarHBondContact CA-O 3.44Å; I107-G170 PolarHBondContact N-O 3.34Å; I107-G170 PolarHBondContact O-N 3.38Å; R134-G170 CarbonylContact O-C 3.59Å; R134-G170 WeakPolarHBondContact O-CA 3.15Å
171	F	98.4	Very high	98.3	Very high	43 Å²	43	23 Å²	23	19%	0.189	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65	139.1	170.3	-65.5	-79.2	0	0	0	110.2	I106 F128 R134 T173 T174 I175	I106-F171 HydrophobicContact CD1-CE1 4.46Å; I106-F171 HydrophobicContact CG1-CD1 4.17Å; I106-F171 HydrophobicContact CG1-CE1 4.24Å; F128-F171 HydrophobicContact CE1-CE2 4.09Å; F128-F171 HydrophobicContact CE1-CZ 4.24Å; F128-F171 HydrophobicContact CZ-CD2 4.27Å; F128-F171 HydrophobicContact CZ-CE2 4.1Å; R134-F171 HydrophobicContact CB-CD2 3.95Å; R134-F171 HydrophobicContact CB-CE2 4.39Å; R134-F171 HydrophobicContact CG-CD2 4.13Å; R134-F171 HydrophobicContact CG-CE2 4.22Å; R134-F171 WeakPolarHBondContact O-CD2 3.34Å; R134-F171 PolarHBondContact O-N 2.88Å; F171-T173 VanDerWaalsContact C-N 3.26Å; F171-T173 PolarHBondContact O-N 3.21Å; F171-T174 PolarHBondContact O-N 3.43Å; F171-I175 PolarHBondContact O-N 3.31Å
172	A	98.1	Very high	98.3	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-57.2	-39.8	-176.3	0	0	0	0	0	112.4	M96 R102 M105 I107 T174 I175 H176	M96-A172 HydrophobicContact CE-CB 4.04Å; M96-A172 WeakPolarHBondContact CE-O 3.25Å; R102-A172 HydrophobicContact CB-CB 4.49Å; M105-A172 HydrophobicContact CB-CB 4.02Å; M105-A172 PolarHBondContact O-N 2.99Å; I107-A172 HydrophobicContact CD1-CB 3.66Å; I107-A172 HydrophobicContact CG1-CB 4.26Å; A172-T174 PolarHBondContact O-N 3.03Å; A172-I175 PolarHBondContact O-N 3.3Å; A172-H176 WeakPolarHBondContact O-CB 3.41Å; A172-H176 PolarHBondContact O-N 3.46Å
173	T	97.8	Very high	98.3	Very high	14 Å²	14	28 Å²	28	9%	0.086	12%	0.124	C	C	.	.	H	α-helix	trans	-60.5	-44.2	176.3	58.8	0	0	0	0	112.2	A100 E103 F171 H176 Q177	A100-T173 WeakPolarHBondContact O-CG2 3.44Å; E103-T173 HydrophobicContact CB-CG2 4.22Å; E103-T173 WeakPolarHBondContact OE2-CB 3.44Å; E103-T173 WeakPolarHBondContact OE2-CG2 3.33Å; E103-T173 PolarHBondContact OE2-OG1 3.3Å; F171-T173 VanDerWaalsContact C-N 3.26Å; F171-T173 PolarHBondContact O-N 3.21Å; T173-H176 PolarHBondContact O-N 3.01Å; T173-Q177 WeakPolarHBondContact O-CG 3.46Å; T173-Q177 PolarHBondContact O-N 3.46Å; T173-Q177 VanDerWaalsContact O-N 3.1Å
174	T	98.2	Very high	98.2	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.006	14%	0.143	C	C	.	.	H	α-helix	trans	-69.1	-42.4	179.2	-58.7	0	0	0	0	111.4	R134 L135 F171 A172 Q177 I178 L207 L209	R134-T174 HydrophobicContact CB-CG2 4.24Å; R134-T174 PolarHBondContact NE-OG1 2.92Å; R134-T174 PolarHBondContact NH2-OG1 2.94Å; R134-T174 VanDerWaalsContact NH2-OG1 3.09Å; L135-T174 HydrophobicContact CB-CG2 3.79Å; L135-T174 HydrophobicContact CD2-CG2 4.42Å; F171-T174 PolarHBondContact O-N 3.43Å; A172-T174 PolarHBondContact O-N 3.03Å; T174-Q177 PolarHBondContact O-N 3.09Å; T174-I178 PolarHBondContact O-N 3.15Å; T174-L207 HydrophobicContact CG2-CB 4.13Å; T174-L209 HydrophobicContact CG2-CD2 4.36Å
175	I	98.5	Very high	98.1	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.005	17%	0.17	C	C	.	.	H	α-helix	trans	-61	-46.9	173.9	-69.9	166.2	0	0	0	110.4	M96 I107 L135 F168 F171 A172 Q177 I178 V179	M96-I175 HydrophobicContact CE-CB 4.07Å; M96-I175 HydrophobicContact CE-CG2 3.97Å; M96-I175 HydrophobicContact CG-CG2 4.04Å; M96-I175 HydrophobicContact SD-CG2 3.93Å; I107-I175 HydrophobicContact CB-CD1 3.81Å; I107-I175 HydrophobicContact CG2-CD1 4.14Å; I107-I175 WeakPolarHBondContact O-CD1 3.34Å; L135-I175 HydrophobicContact CD1-CD1 4.21Å; L135-I175 HydrophobicContact CD1-CG1 3.67Å; L135-I175 HydrophobicContact CD2-CG1 4.23Å; F168-I175 HydrophobicContact CD2-CD1 4.48Å; F168-I175 HydrophobicContact CE2-CD1 4.49Å; F168-I175 HydrophobicContact CE2-CG2 4.32Å; F171-I175 PolarHBondContact O-N 3.31Å; A172-I175 PolarHBondContact O-N 3.3Å; I175-Q177 VanDerWaalsContact C-N 3.29Å; I175-Q177 PolarHBondContact O-N 2.94Å; I175-I178 WeakPolarHBondContact O-CB 3.42Å; I175-I178 PolarHBondContact O-N 3.1Å; I175-V179 HydrophobicContact CG2-CG1 4.14Å; I175-V179 HydrophobicContact CG2-CG2 4.5Å; I175-V179 WeakPolarHBondContact O-CG2 3.44Å; I175-V179 PolarHBondContact O-N 3.36Å
176	H	98.4	Very high	98	Very high	19 Å²	19	40.4 Å²	40.4	9%	0.088	18%	0.176	C	C	.	.	H	α-helix	trans	-56.3	-43.6	179.3	173	71.7	0	0	0	111.8	M96 A172 T173 I178 V179 R180	M96-H176 HydrophobicContact CB-CB 4.37Å; M96-H176 HydrophobicContact CE-CB 3.94Å; M96-H176 PolarHBondContact O-ND1 3.38Å; A172-H176 WeakPolarHBondContact O-CB 3.41Å; A172-H176 PolarHBondContact O-N 3.46Å; T173-H176 PolarHBondContact O-N 3.01Å; H176-I178 VanDerWaalsContact C-N 3.25Å; H176-I178 PolarHBondContact O-N 3.14Å; H176-V179 PolarHBondContact O-N 2.86Å; H176-R180 PolarHBondContact NE2-NH1 2.67Å; H176-R180 WeakPolarHBondContact O-CB 3.39Å; H176-R180 WeakPolarHBondContact O-CG 3.22Å; H176-R180 PolarHBondContact O-N 3.22Å
177	Q	98.1	Very high	97.9	Very high	86 Å²	86	44.3 Å²	44.3	40%	0.402	20%	0.197	S	C	.	.	H	α-helix	trans	-62.4	-29.5	178	-74.2	175.5	-4.9	0	0	113.8	T173 T174 I175 R180 Q181 L207	T173-Q177 WeakPolarHBondContact O-CG 3.46Å; T173-Q177 PolarHBondContact O-N 3.46Å; T173-Q177 VanDerWaalsContact O-N 3.1Å; T174-Q177 PolarHBondContact O-N 3.09Å; I175-Q177 VanDerWaalsContact C-N 3.29Å; I175-Q177 PolarHBondContact O-N 2.94Å; Q177-R180 WeakPolarHBondContact O-CG 3.46Å; Q177-Q181 PolarHBondContact O-NE2 3.14Å; Q177-L207 HydrophobicContact CB-CD1 4.38Å
178	I	98.4	Very high	97.9	Very high	2 Å²	2	47.1 Å²	47.1	1%	0.01	21%	0.212	C	C	.	.	H	α-helix	trans	-77.5	-60.9	173.5	-65.3	-60.7	0	0	0	110	L135 T174 I175 H176 R180 Q181 F193 Y194 L197 L203 L207 L209	L135-I178 HydrophobicContact CD2-CG1 3.86Å; T174-I178 PolarHBondContact O-N 3.15Å; I175-I178 WeakPolarHBondContact O-CB 3.42Å; I175-I178 PolarHBondContact O-N 3.1Å; H176-I178 VanDerWaalsContact C-N 3.25Å; H176-I178 PolarHBondContact O-N 3.14Å; I178-R180 VanDerWaalsContact C-N 3.27Å; I178-R180 PolarHBondContact O-N 3.41Å; I178-Q181 WeakPolarHBondContact O-CB 3.28Å; I178-Q181 PolarHBondContact O-N 3.12Å; I178-Q181 VanDerWaalsContact O-N 3.08Å; I178-F193 HydrophobicContact CG2-CE1 4.5Å; I178-Y194 HydrophobicContact CG2-CD1 3.81Å; I178-Y194 HydrophobicContact CG2-CE1 3.75Å; I178-L197 HydrophobicContact CD1-CD1 4.43Å; I178-L197 HydrophobicContact CG2-CD1 3.76Å; I178-L203 HydrophobicContact CD1-CD2 4.11Å; I178-L207 HydrophobicContact CD1-CD1 3.63Å; I178-L207 HydrophobicContact CG1-CD1 4.2Å; I178-L209 HydrophobicContact CD1-CD1 4.09Å; I178-L209 HydrophobicContact CD1-CD2 4.41Å
179	V	98.2	Very high	97.8	Very high	1 Å²	1	47.7 Å²	47.7	1%	0.006	22%	0.215	C	C	.	.	H	α-helix	trans	-67.5	-25.5	-169.5	-58.6	0	0	0	0	113.3	L92 K93 M96 I175 H176 Q181 W182 Y194	L92-V179 HydrophobicContact CD2-CG1 3.88Å; L92-V179 HydrophobicContact CG-CG1 4.25Å; K93-V179 HydrophobicContact CB-CB 4.32Å; K93-V179 HydrophobicContact CB-CG2 4.31Å; K93-V179 WeakPolarHBondContact CD-O 3.26Å; M96-V179 HydrophobicContact CB-CG2 3.83Å; M96-V179 HydrophobicContact CG-CG2 3.84Å; I175-V179 HydrophobicContact CG2-CG1 4.14Å; I175-V179 HydrophobicContact CG2-CG2 4.5Å; I175-V179 WeakPolarHBondContact O-CG2 3.44Å; I175-V179 PolarHBondContact O-N 3.36Å; H176-V179 PolarHBondContact O-N 2.86Å; V179-Q181 PolarHBondContact O-N 3.12Å; V179-Q181 VanDerWaalsContact O-N 3.15Å; V179-W182 VanDerWaalsContact O-CB 3.25Å; V179-W182 WeakPolarHBondContact O-CB 3.45Å; V179-W182 PolarHBondContact O-N 2.98Å; V179-W182 VanDerWaalsContact O-N 3.08Å; V179-Y194 HydrophobicContact CG1-CE1 4.18Å
180	R	97.8	Very high	97.7	Very high	142 Å²	142	48.2 Å²	48.2	54%	0.536	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-22.9	175.5	71.1	-176.5	-73.3	166.2	-8.5	113.5	K93 H176 Q177 I178 W182	K93-R180 WeakPolarHBondContact CE-O 3.49Å; K93-R180 PolarHBondContact NZ-O 2.94Å; H176-R180 PolarHBondContact NE2-NH1 2.67Å; H176-R180 WeakPolarHBondContact O-CB 3.39Å; H176-R180 WeakPolarHBondContact O-CG 3.22Å; H176-R180 PolarHBondContact O-N 3.22Å; Q177-R180 WeakPolarHBondContact O-CG 3.46Å; I178-R180 VanDerWaalsContact C-N 3.27Å; I178-R180 PolarHBondContact O-N 3.41Å; R180-W182 PolarHBondContact O-N 2.99Å
181	Q	98	Very high	97.7	Very high	81 Å²	81	48.6 Å²	48.6	38%	0.379	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-13.5	179.2	-57.7	-176.4	49	0	0	112.5	Q177 I178 V179 K183 F193	Q177-Q181 PolarHBondContact O-NE2 3.14Å; I178-Q181 WeakPolarHBondContact O-CB 3.28Å; I178-Q181 PolarHBondContact O-N 3.12Å; I178-Q181 VanDerWaalsContact O-N 3.08Å; V179-Q181 PolarHBondContact O-N 3.12Å; V179-Q181 VanDerWaalsContact O-N 3.15Å; Q181-K183 PolarHBondContact O-N 2.92Å; Q181-F193 HydrophobicContact CB-CE2 4.31Å; Q181-F193 HydrophobicContact CB-CZ 4.37Å
182	W	98.2	Very high	97.7	Very high	7 Å²	7	47.7 Å²	47.7	3%	0.027	22%	0.216	C	C	.	.			trans	-60.4	125.1	174.1	-178	-93	0	0	0	111.3	G86 V89 K93 V179 R180 Y184 K185 D188 F193	G86-W182 WeakPolarHBondContact O-CZ2 3.38Å; V89-W182 HydrophobicContact CB-CD2 3.71Å; V89-W182 HydrophobicContact CB-CE3 3.74Å; V89-W182 HydrophobicContact CB-CG 4.11Å; V89-W182 HydrophobicContact CB-CZ3 4.17Å; V89-W182 HydrophobicContact CG1-CB 3.7Å; V89-W182 HydrophobicContact CG1-CD2 3.63Å; V89-W182 HydrophobicContact CG1-CE3 3.58Å; V89-W182 HydrophobicContact CG1-CG 3.7Å; V89-W182 HydrophobicContact CG1-CZ3 4.41Å; V89-W182 HydrophobicContact CG2-CE3 4.08Å; V89-W182 HydrophobicContact CG2-CZ3 4.09Å; K93-W182 HydrophobicContact CD-CB 4.25Å; K93-W182 PolarHBondContact NZ-O 2.58Å; V179-W182 VanDerWaalsContact O-CB 3.25Å; V179-W182 WeakPolarHBondContact O-CB 3.45Å; V179-W182 PolarHBondContact O-N 2.98Å; V179-W182 VanDerWaalsContact O-N 3.08Å; R180-W182 PolarHBondContact O-N 2.99Å; W182-Y184 HydrophobicContact CD2-CD2 4.01Å; W182-Y184 AromaticContact CE3-CD2 3.69Å; W182-Y184 HydrophobicContact CE3-CD2 3.69Å; W182-Y184 HydrophobicContact CE3-CG 4.49Å; W182-Y184 HydrophobicContact CH2-CD2 4.47Å; W182-Y184 AromaticContact CZ3-CD2 3.95Å; W182-Y184 HydrophobicContact CZ3-CD2 3.95Å; W182-Y184 HydrophobicContact CZ3-CG 4.45Å; W182-Y184 PolarHBondContact NE1-O 3.38Å; W182-K185 VanDerWaalsContact CZ2-O 3.23Å; W182-K185 WeakPolarHBondContact CZ2-O 3.48Å; W182-D188 HydrophobicContact CH2-CB 4.02Å; W182-D188 HydrophobicContact CZ2-CB 4.45Å; W182-F193 HydrophobicContact CB-CE2 4.35Å; W182-F193 HydrophobicContact CB-CZ 4.06Å; W182-F193 HydrophobicContact CE3-CB 3.91Å; W182-F193 AromaticContact CE3-CD1 3.69Å; W182-F193 HydrophobicContact CE3-CD1 3.69Å; W182-F193 AromaticContact CE3-CD2 3.74Å; W182-F193 HydrophobicContact CE3-CD2 3.74Å; W182-F193 HydrophobicContact CE3-CE1 4.09Å; W182-F193 HydrophobicContact CE3-CE2 4.13Å; W182-F193 AromaticContact CE3-CG 3.49Å; W182-F193 HydrophobicContact CE3-CG 3.49Å; W182-F193 VanDerWaalsContact CE3-CG 3.49Å; W182-F193 HydrophobicContact CE3-CZ 4.28Å; W182-F193 HydrophobicContact CZ3-CB 3.54Å; W182-F193 HydrophobicContact CZ3-CD1 4.09Å; W182-F193 HydrophobicContact CZ3-CD2 4.22Å; W182-F193 AromaticContact CZ3-CG 3.7Å; W182-F193 HydrophobicContact CZ3-CG 3.7Å
183	K	96.8	Very high	97.7	Very high	174 Å²	174	48.3 Å²	48.3	76%	0.757	22%	0.219	S	C	*	.			trans	-146.7	20	179.4	61.4	-179.1	177.4	-179	0	112	Q181	Q181-K183 PolarHBondContact O-N 2.92Å
184	Y	97.2	Very high	97.8	Very high	103 Å²	103	47.9 Å²	47.9	40%	0.404	22%	0.216	S	C	.	.	S	Bend	trans	-99.4	173.7	-172.7	-57	-77.4	0	0	0	110.1	W182 D188 F193	W182-Y184 HydrophobicContact CD2-CD2 4.01Å; W182-Y184 AromaticContact CE3-CD2 3.69Å; W182-Y184 HydrophobicContact CE3-CD2 3.69Å; W182-Y184 HydrophobicContact CE3-CG 4.49Å; W182-Y184 HydrophobicContact CH2-CD2 4.47Å; W182-Y184 AromaticContact CZ3-CD2 3.95Å; W182-Y184 HydrophobicContact CZ3-CD2 3.95Å; W182-Y184 HydrophobicContact CZ3-CG 4.45Å; W182-Y184 PolarHBondContact NE1-O 3.38Å; Y184-D188 WeakPolarHBondContact CB-OD2 3.19Å; Y184-F193 HydrophobicContact CD2-CD2 4.03Å; Y184-F193 AromaticContact CE2-CD2 3.64Å; Y184-F193 HydrophobicContact CE2-CD2 3.64Å; Y184-F193 HydrophobicContact CE2-CE2 4.04Å
185	K	96.9	Very high	97.8	Very high	139 Å²	139	48 Å²	48	60%	0.604	22%	0.217	S	C	*	.			trans	-74.8	160.8	-178.5	-59.1	176.2	178.9	176.7	0	111.5	W182 D187 D188	W182-K185 VanDerWaalsContact CZ2-O 3.23Å; W182-K185 WeakPolarHBondContact CZ2-O 3.48Å; K185-D187 WeakPolarHBondContact CB-OD1 3.44Å; K185-D187 PolarHBondContact O-N 3.1Å; K185-D188 WeakPolarHBondContact CB-OD2 3.28Å; K185-D188 PolarHBondContact N-OD2 3.16Å; K185-D188 WeakPolarHBondContact O-CB 3.26Å; K185-D188 PolarHBondContact O-N 3.32Å; K185-D188 VanDerWaalsContact O-N 3.12Å
186	D	96.6	Very high	97.8	Very high	30 Å²	30	53.9 Å²	53.9	16%	0.16	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-29.2	-179.7	-81.2	5.8	0	0	0	112.9	R75 G76 G86 Q87 R90	R75-D186 HydrophobicContact CB-CB 4.03Å; R75-D186 CarbonylContact O-C 3.56Å; G76-D186 WeakPolarHBondContact CA-O 3.3Å; G86-D186 CarbonylContact C-O 3.59Å; G86-D186 WeakPolarHBondContact CA-O 3.27Å; G86-D186 PolarHBondContact N-O 3.09Å; G86-D186 VanDerWaalsContact N-O 3.12Å; Q87-D186 HydrophobicContact CB-CB 3.98Å; Q87-D186 HydrophobicContact CG-CB 4.35Å; Q87-D186 PolarHBondContact N-O 2.77Å; R90-D186 VanDerWaalsContact CD-OD1 3.3Å; R90-D186 WeakPolarHBondContact CD-OD1 3.23Å; R90-D186 IonicContact CZ-OD1 2.71Å; R90-D186 IonicContact CZ-OD2 3.88Å; R90-D186 IonicContact NE-OD1 2.85Å; R90-D186 PolarHBondContact NE-OD1 3.18Å; R90-D186 IonicContact NE-OD2 3.49Å; R90-D186 PolarHBondContact NE-OD2 3.19Å; R90-D186 IonicContact NH2-OD1 3.92Å; R90-D186 IonicContact NH2-OD2 3.49Å; R90-D186 PolarHBondContact NH2-OD2 3.44Å
187	D	96.1	Very high	97.8	Very high	85 Å²	85	54.1 Å²	54.1	46%	0.455	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94	-0	178.6	62.7	-30.3	0	0	0	114.3	G84 K185	G84-D187 WeakPolarHBondContact CA-O 3.19Å; K185-D187 WeakPolarHBondContact CB-OD1 3.44Å; K185-D187 PolarHBondContact O-N 3.1Å
188	D	97.2	Very high	97.8	Very high	61 Å²	61	50.4 Å²	50.4	33%	0.326	22%	0.223	S	C	.	.	S	Bend	trans	-70.8	152.7	170.5	-77.4	-44.7	0	0	0	110.5	G84 G86 W182 Y184 K185 D190	G84-D188 CarbonylContact C-O 3.37Å; G86-D188 WeakPolarHBondContact CA-O 3.35Å; G86-D188 PolarHBondContact N-O 2.97Å; W182-D188 HydrophobicContact CH2-CB 4.02Å; W182-D188 HydrophobicContact CZ2-CB 4.45Å; Y184-D188 WeakPolarHBondContact CB-OD2 3.19Å; K185-D188 WeakPolarHBondContact CB-OD2 3.28Å; K185-D188 PolarHBondContact N-OD2 3.16Å; K185-D188 WeakPolarHBondContact O-CB 3.26Å; K185-D188 PolarHBondContact O-N 3.32Å; K185-D188 VanDerWaalsContact O-N 3.12Å; D188-D190 PolarHBondContact O-N 2.96Å
189	D	97.4	Very high	97.8	Very high	13 Å²	13	50.9 Å²	50.9	7%	0.07	23%	0.225	C	C	.	.	B	Isolated β-bridge	trans	-73.3	122	-172.2	-165.8	-106.3	0	0	0	113	V83 G84 W144 P145 Q191 L192 F193	V83-D189 HydrophobicContact CB-CB 4.03Å; V83-D189 VanDerWaalsContact CB-OD2 3.32Å; V83-D189 WeakPolarHBondContact CB-OD2 3.29Å; V83-D189 HydrophobicContact CG1-CB 4.45Å; G84-D189 PolarHBondContact N-OD2 3.26Å; G84-D189 WeakPolarHBondContact O-CA 3.44Å; W144-D189 WeakPolarHBondContact CH2-OD2 3.44Å; W144-D189 VanDerWaalsContact CZ3-OD2 3.25Å; W144-D189 WeakPolarHBondContact CZ3-OD2 3.32Å; P145-D189 WeakPolarHBondContact CD-OD1 3.47Å; D189-Q191 WeakPolarHBondContact OD1-CB 3.38Å; D189-Q191 PolarHBondContact OD1-N 2.87Å; D189-L192 HydrophobicContact CB-CB 3.84Å; D189-L192 VanDerWaalsContact OD1-CB 3.29Å; D189-L192 WeakPolarHBondContact OD1-CB 3.45Å; D189-L192 PolarHBondContact OD1-N 2.99Å; D189-F193 PolarHBondContact O-N 3.05Å
190	D	97.3	Very high	97.8	Very high	11 Å²	11	54.6 Å²	54.6	6%	0.059	25%	0.245	C	C	.	.	H	α-helix	trans	-68.3	-42.1	178.6	66.4	-28.8	0	0	0	111.7	G84 K88 V89 S165 D188 L192 F193 Y194	G84-D190 PolarHBondContact O-N 2.93Å; G84-D190 VanDerWaalsContact O-N 3.1Å; G84-D190 VanDerWaalsContact O-OD1 3.1Å; K88-D190 WeakPolarHBondContact CE-OD2 3.41Å; K88-D190 IonicContact NZ-OD2 2.71Å; K88-D190 PolarHBondContact NZ-OD2 3.07Å; V89-D190 HydrophobicContact CG2-CB 3.51Å; S165-D190 PolarHBondContact OG-OD2 2.93Å; D188-D190 PolarHBondContact O-N 2.96Å; D190-L192 PolarHBondContact O-N 3.24Å; D190-F193 WeakPolarHBondContact O-CB 3.37Å; D190-F193 PolarHBondContact O-N 2.87Å; D190-Y194 WeakPolarHBondContact O-CD2 3.41Å; D190-Y194 PolarHBondContact O-N 3.34Å; D190-Y194 VanDerWaalsContact O-N 3.16Å
191	Q	98.2	Very high	97.8	Very high	8 Å²	8	51.8 Å²	51.8	4%	0.037	25%	0.245	C	C	.	.	H	α-helix	trans	-63.2	-42.4	179.6	-175.8	154.1	-55.8	0	0	112.8	E140 W144 L163 N164 S165 D189 F193 Y194 T195	E140-Q191 PolarHBondContact OE1-NE2 3.09Å; E140-Q191 VanDerWaalsContact OE1-NE2 3.15Å; W144-Q191 HydrophobicContact CE3-CB 4.27Å; W144-Q191 HydrophobicContact CE3-CG 4.34Å; W144-Q191 HydrophobicContact CZ3-CB 4.1Å; W144-Q191 PolarHBondContact O-NE2 3.07Å; L163-Q191 HydrophobicContact CD2-CG 4.45Å; L163-Q191 PolarHBondContact O-NE2 3.47Å; N164-Q191 PolarHBondContact ND2-OE1 3.49Å; S165-Q191 WeakPolarHBondContact OG-CB 3.47Å; D189-Q191 WeakPolarHBondContact OD1-CB 3.38Å; D189-Q191 PolarHBondContact OD1-N 2.87Å; Q191-F193 VanDerWaalsContact C-N 3.32Å; Q191-F193 PolarHBondContact O-N 2.99Å; Q191-Y194 PolarHBondContact O-N 2.57Å; Q191-T195 VanDerWaalsContact O-CB 3.25Å; Q191-T195 WeakPolarHBondContact O-CB 3.32Å; Q191-T195 PolarHBondContact O-N 3.33Å; Q191-T195 PolarHBondContact O-OG1 3.15Å
192	L	98.4	Very high	97.8	Very high	24 Å²	24	50 Å²	50	13%	0.126	25%	0.249	C	C	.	.	H	α-helix	trans	-63.6	-38.8	177	-174.8	57.1	0	0	0	111.7	P145 E146 L149 D189 D190 T195 R196	P145-L192 HydrophobicContact CG-CB 3.93Å; P145-L192 HydrophobicContact CG-CD1 4.29Å; P145-L192 HydrophobicContact CG-CD2 4.24Å; P145-L192 HydrophobicContact CG-CG 4.39Å; E146-L192 HydrophobicContact CB-CD1 4.28Å; E146-L192 HydrophobicContact CG-CD1 3.92Å; L149-L192 HydrophobicContact CD1-CD1 4.04Å; D189-L192 HydrophobicContact CB-CB 3.84Å; D189-L192 VanDerWaalsContact OD1-CB 3.29Å; D189-L192 WeakPolarHBondContact OD1-CB 3.45Å; D189-L192 PolarHBondContact OD1-N 2.99Å; D190-L192 PolarHBondContact O-N 3.24Å; L192-T195 PolarHBondContact O-N 3.14Å; L192-R196 HydrophobicContact CD1-CG 4.31Å; L192-R196 WeakPolarHBondContact O-CG 3.46Å; L192-R196 PolarHBondContact O-N 3.29Å
193	F	98.6	Very high	97.7	Very high	13 Å²	13	50.9 Å²	50.9	6%	0.057	25%	0.254	C	S	.	.	H	α-helix	trans	-59.9	-51.2	174.6	163.5	-104.9	0	0	0	112	V89 I178 Q181 W182 Y184 D189 D190 Q191 R196 L197	V89-F193 HydrophobicContact CG1-CD1 4.04Å; V89-F193 HydrophobicContact CG1-CE1 3.74Å; V89-F193 HydrophobicContact CG1-CZ 4.49Å; I178-F193 HydrophobicContact CG2-CE1 4.5Å; Q181-F193 HydrophobicContact CB-CE2 4.31Å; Q181-F193 HydrophobicContact CB-CZ 4.37Å; W182-F193 HydrophobicContact CB-CE2 4.35Å; W182-F193 HydrophobicContact CB-CZ 4.06Å; W182-F193 HydrophobicContact CE3-CB 3.91Å; W182-F193 AromaticContact CE3-CD1 3.69Å; W182-F193 HydrophobicContact CE3-CD1 3.69Å; W182-F193 AromaticContact CE3-CD2 3.74Å; W182-F193 HydrophobicContact CE3-CD2 3.74Å; W182-F193 HydrophobicContact CE3-CE1 4.09Å; W182-F193 HydrophobicContact CE3-CE2 4.13Å; W182-F193 AromaticContact CE3-CG 3.49Å; W182-F193 HydrophobicContact CE3-CG 3.49Å; W182-F193 VanDerWaalsContact CE3-CG 3.49Å; W182-F193 HydrophobicContact CE3-CZ 4.28Å; W182-F193 HydrophobicContact CZ3-CB 3.54Å; W182-F193 HydrophobicContact CZ3-CD1 4.09Å; W182-F193 HydrophobicContact CZ3-CD2 4.22Å; W182-F193 AromaticContact CZ3-CG 3.7Å; W182-F193 HydrophobicContact CZ3-CG 3.7Å; Y184-F193 HydrophobicContact CD2-CD2 4.03Å; Y184-F193 AromaticContact CE2-CD2 3.64Å; Y184-F193 HydrophobicContact CE2-CD2 3.64Å; Y184-F193 HydrophobicContact CE2-CE2 4.04Å; D189-F193 PolarHBondContact O-N 3.05Å; D190-F193 WeakPolarHBondContact O-CB 3.37Å; D190-F193 PolarHBondContact O-N 2.87Å; Q191-F193 VanDerWaalsContact C-N 3.32Å; Q191-F193 PolarHBondContact O-N 2.99Å; F193-R196 PolarHBondContact O-N 3.22Å; F193-L197 HydrophobicContact CD2-CD1 4.25Å; F193-L197 HydrophobicContact CE1-CD1 4Å; F193-L197 HydrophobicContact CE2-CD1 3.61Å; F193-L197 HydrophobicContact CE2-CG 4.37Å; F193-L197 HydrophobicContact CZ-CD1 3.47Å; F193-L197 VanDerWaalsContact CZ-CD1 3.47Å; F193-L197 PolarHBondContact O-N 3.3Å
194	Y	98.8	Very high	97.7	Very high	5 Å²	5	45 Å²	45	2%	0.02	23%	0.227	C	C	.	.	H	α-helix	trans	-66.5	-38.4	178.5	-68.3	-66.3	0	0	0	112.2	V89 F137 F168 I178 V179 D190 Q191 R196 L197 Y198	V89-Y194 HydrophobicContact CG2-CE2 3.85Å; F137-Y194 AromaticContact CE1-CD1 3.71Å; F137-Y194 HydrophobicContact CE1-CD1 3.71Å; F137-Y194 HydrophobicContact CE1-CE1 4.28Å; F137-Y194 AromaticContact CE1-CG 3.88Å; F137-Y194 HydrophobicContact CE1-CG 3.88Å; F137-Y194 AromaticContact CZ-CD1 3.78Å; F137-Y194 HydrophobicContact CZ-CD1 3.78Å; F137-Y194 HydrophobicContact CZ-CE1 4.4Å; F137-Y194 HydrophobicContact CZ-CG 4.33Å; F168-Y194 HydrophobicContact CE1-CE1 4.45Å; F168-Y194 HydrophobicContact CE1-CE2 4.18Å; F168-Y194 AromaticContact CE1-CZ 3.96Å; F168-Y194 HydrophobicContact CZ-CE1 4.39Å; I178-Y194 HydrophobicContact CG2-CD1 3.81Å; I178-Y194 HydrophobicContact CG2-CE1 3.75Å; V179-Y194 HydrophobicContact CG1-CE1 4.18Å; D190-Y194 WeakPolarHBondContact O-CD2 3.41Å; D190-Y194 PolarHBondContact O-N 3.34Å; D190-Y194 VanDerWaalsContact O-N 3.16Å; Q191-Y194 PolarHBondContact O-N 2.57Å; Y194-R196 PolarHBondContact O-N 3.07Å; Y194-L197 PolarHBondContact O-N 2.82Å; Y194-Y198 WeakPolarHBondContact O-CB 3.43Å; Y194-Y198 PolarHBondContact O-N 2.83Å
195	T	98.6	Very high	97.8	Very high	4 Å²	4	47.7 Å²	47.7	3%	0.025	24%	0.243	C	C	.	.	H	α-helix	trans	-57.5	-50.4	176.5	-69.5	0	0	0	0	111.4	L149 Y153 Q191 L192 L197 Y198 L199	L149-T195 HydrophobicContact CD1-CG2 3.77Å; Y153-T195 HydrophobicContact CE2-CG2 4.12Å; Y153-T195 VanDerWaalsContact OH-CG2 3.24Å; Y153-T195 WeakPolarHBondContact OH-CG2 3.43Å; Y153-T195 PolarHBondContact OH-OG1 3.29Å; Q191-T195 VanDerWaalsContact O-CB 3.25Å; Q191-T195 WeakPolarHBondContact O-CB 3.32Å; Q191-T195 PolarHBondContact O-N 3.33Å; Q191-T195 PolarHBondContact O-OG1 3.15Å; L192-T195 PolarHBondContact O-N 3.14Å; T195-L197 VanDerWaalsContact C-N 3.3Å; T195-L197 PolarHBondContact O-N 3.27Å; T195-Y198 PolarHBondContact O-N 3.08Å; T195-Y198 VanDerWaalsContact O-N 3.16Å; T195-L199 HydrophobicContact CG2-CD1 3.72Å; T195-L199 HydrophobicContact CG2-CG 4.27Å; T195-L199 WeakPolarHBondContact O-CB 3.21Å; T195-L199 VanDerWaalsContact O-CG 3.3Å; T195-L199 WeakPolarHBondContact O-CG 3.43Å; T195-L199 PolarHBondContact O-N 3.43Å
196	R	98.4	Very high	97.8	Very high	124 Å²	124	49.1 Å²	49.1	47%	0.468	25%	0.249	S	C	.	.	H	α-helix	trans	-61.9	-37.9	-179.7	-72.8	173.4	177.2	169.5	-0.7	112.3	E146 L192 F193 Y194 L199 D200	E146-R196 IonicContact OE1-CZ 3.05Å; E146-R196 IonicContact OE1-NH2 3.3Å; E146-R196 PolarHBondContact OE1-NH2 2.97Å; E146-R196 IonicContact OE2-NH2 3.23Å; L192-R196 HydrophobicContact CD1-CG 4.31Å; L192-R196 WeakPolarHBondContact O-CG 3.46Å; L192-R196 PolarHBondContact O-N 3.29Å; F193-R196 PolarHBondContact O-N 3.22Å; Y194-R196 PolarHBondContact O-N 3.07Å; R196-L199 PolarHBondContact O-N 2.92Å; R196-D200 PolarHBondContact O-N 3.27Å
197	L	98.4	Very high	97.8	Very high	24 Å²	24	48.1 Å²	48.1	13%	0.126	24%	0.244	C	C	.	.	H	α-helix	trans	-70	-37	175.2	-67	179.4	0	0	0	112.7	I178 F193 Y194 T195 L199 L203	I178-L197 HydrophobicContact CD1-CD1 4.43Å; I178-L197 HydrophobicContact CG2-CD1 3.76Å; F193-L197 HydrophobicContact CD2-CD1 4.25Å; F193-L197 HydrophobicContact CE1-CD1 4Å; F193-L197 HydrophobicContact CE2-CD1 3.61Å; F193-L197 HydrophobicContact CE2-CG 4.37Å; F193-L197 HydrophobicContact CZ-CD1 3.47Å; F193-L197 VanDerWaalsContact CZ-CD1 3.47Å; F193-L197 PolarHBondContact O-N 3.3Å; Y194-L197 PolarHBondContact O-N 2.82Å; T195-L197 VanDerWaalsContact C-N 3.3Å; T195-L197 PolarHBondContact O-N 3.27Å; L197-L199 VanDerWaalsContact C-N 3.34Å; L197-L203 HydrophobicContact CB-CD2 4.04Å; L197-L203 HydrophobicContact CD2-CD2 3.83Å; L197-L203 HydrophobicContact CG-CD2 4.47Å
198	Y	98.6	Very high	97.9	Very high	8 Å²	8	46.3 Å²	46.3	3%	0.031	24%	0.238	C	C	.	.	H	α-helix	trans	-69.7	-31.6	175.7	178.8	-97.2	0	0	0	112.8	Y153 L163 Y194 T195 R204 L209 L211	Y153-Y198 HydrophobicContact CD1-CD1 4.22Å; Y153-Y198 AromaticContact CD1-CE1 3.88Å; Y153-Y198 HydrophobicContact CD1-CE1 3.88Å; Y153-Y198 AromaticContact CE1-CD1 3.76Å; Y153-Y198 HydrophobicContact CE1-CD1 3.76Å; Y153-Y198 AromaticContact CE1-CE1 3.81Å; Y153-Y198 HydrophobicContact CE1-CE1 3.81Å; L163-Y198 HydrophobicContact CD1-CD2 4.46Å; L163-Y198 HydrophobicContact CD1-CG 4.05Å; Y194-Y198 WeakPolarHBondContact O-CB 3.43Å; Y194-Y198 PolarHBondContact O-N 2.83Å; T195-Y198 PolarHBondContact O-N 3.08Å; T195-Y198 VanDerWaalsContact O-N 3.16Å; Y198-R204 HydrophobicContact CD2-CG 4.41Å; Y198-R204 HydrophobicContact CE2-CG 4.1Å; Y198-R204 WeakPolarHBondContact O-CD 3.07Å; Y198-R204 PolarHBondContact O-NH1 3.47Å; Y198-L209 HydrophobicContact CD2-CB 3.87Å; Y198-L209 HydrophobicContact CE2-CB 4.16Å; Y198-L211 HydrophobicContact CD1-CD2 4.37Å; Y198-L211 HydrophobicContact CD2-CD2 3.99Å; Y198-L211 HydrophobicContact CE1-CD1 3.86Å; Y198-L211 HydrophobicContact CE1-CD2 4.12Å; Y198-L211 HydrophobicContact CE1-CG 4Å; Y198-L211 HydrophobicContact CE2-CD2 3.73Å; Y198-L211 HydrophobicContact CE2-CG 3.93Å; Y198-L211 HydrophobicContact CG-CD2 4.31Å
199	L	98.4	Very high	98	Very high	11 Å²	11	43.6 Å²	43.6	6%	0.058	22%	0.223	C	C	.	.	H	α-helix	trans	-77	-19.5	-180	-73.4	178.1	0	0	0	113.7	L149 Q152 Y153 T195 R196 L197 P201	L149-L199 HydrophobicContact CB-CD1 3.85Å; L149-L199 HydrophobicContact CD1-CD1 4.12Å; L149-L199 HydrophobicContact CD2-CD1 4.34Å; L149-L199 HydrophobicContact CG-CD1 4.33Å; Q152-L199 HydrophobicContact CB-CD1 4.13Å; Q152-L199 HydrophobicContact CB-CD2 3.79Å; Q152-L199 HydrophobicContact CB-CG 4.42Å; Y153-L199 HydrophobicContact CD1-CD2 4.17Å; Y153-L199 HydrophobicContact CD2-CD1 4.34Å; Y153-L199 HydrophobicContact CD2-CD2 3.65Å; Y153-L199 HydrophobicContact CD2-CG 4.44Å; Y153-L199 HydrophobicContact CE1-CD2 4.32Å; Y153-L199 HydrophobicContact CE2-CD1 3.95Å; Y153-L199 HydrophobicContact CE2-CD2 3.84Å; Y153-L199 HydrophobicContact CE2-CG 4.16Å; Y153-L199 HydrophobicContact CG-CD2 3.83Å; T195-L199 HydrophobicContact CG2-CD1 3.72Å; T195-L199 HydrophobicContact CG2-CG 4.27Å; T195-L199 WeakPolarHBondContact O-CB 3.21Å; T195-L199 VanDerWaalsContact O-CG 3.3Å; T195-L199 WeakPolarHBondContact O-CG 3.43Å; T195-L199 PolarHBondContact O-N 3.43Å; R196-L199 PolarHBondContact O-N 2.92Å; L197-L199 VanDerWaalsContact C-N 3.34Å; L199-P201 WeakPolarHBondContact O-CD 3.3Å; L199-P201 VanDerWaalsContact O-N 3.15Å
200	D	98.3	Very high	98	Very high	80 Å²	80	45.9 Å²	45.9	43%	0.428	24%	0.236	S	C	.	.			trans	-63.9	109.1	167	-179.1	-27.6	0	0	0	109.5	R196 G202 L203 R204	R196-D200 PolarHBondContact O-N 3.27Å; D200-G202 VanDerWaalsContact C-N 3.3Å; D200-G202 PolarHBondContact O-N 3.28Å; D200-G202 PolarHBondContact OD1-N 3.1Å; D200-L203 HydrophobicContact CB-CB 3.84Å; D200-L203 PolarHBondContact O-N 2.9Å; D200-L203 PolarHBondContact OD1-N 2.89Å; D200-R204 VanDerWaalsContact O-CB 3.29Å; D200-R204 WeakPolarHBondContact O-CB 3.43Å; D200-R204 PolarHBondContact O-N 3.27Å
201	P	96.9	Very high	98.1	Very high	82 Å²	82	45.7 Å²	45.7	53%	0.532	23%	0.234	S	C	.	.	H	α-helix	trans	-64.8	-35.7	-174.6	-20.7	34.7	0	0	0	112.5	L199 E205	L199-P201 WeakPolarHBondContact O-CD 3.3Å; L199-P201 VanDerWaalsContact O-N 3.15Å; P201-E205 WeakPolarHBondContact O-CB 3.11Å; P201-E205 PolarHBondContact O-N 2.82Å
202	G	97.5	Very high	98.1	Very high	44 Å²	44	45.6 Å²	45.6	45%	0.454	23%	0.234	S	C	.	.	H	α-helix	trans	-70.2	-41.3	-179.7	0	0	0	0	0	111.3	D200 K206	D200-G202 VanDerWaalsContact C-N 3.3Å; D200-G202 PolarHBondContact O-N 3.28Å; D200-G202 PolarHBondContact OD1-N 3.1Å; G202-K206 WeakPolarHBondContact O-CB 3.46Å; G202-K206 PolarHBondContact O-N 3.45Å
203	L	97.2	Very high	98.1	Very high	26 Å²	26	46.8 Å²	46.8	14%	0.136	24%	0.239	C	C	.	.	H	α-helix	trans	-67.8	-43.1	174.7	-170.5	63.7	0	0	0	111.7	I178 L197 D200 E205 K206 L207	I178-L203 HydrophobicContact CD1-CD2 4.11Å; L197-L203 HydrophobicContact CB-CD2 4.04Å; L197-L203 HydrophobicContact CD2-CD2 3.83Å; L197-L203 HydrophobicContact CG-CD2 4.47Å; D200-L203 HydrophobicContact CB-CB 3.84Å; D200-L203 PolarHBondContact O-N 2.9Å; D200-L203 PolarHBondContact OD1-N 2.89Å; L203-E205 PolarHBondContact O-N 2.85Å; L203-K206 PolarHBondContact O-N 3.42Å; L203-L207 HydrophobicContact CD1-CD1 3.55Å; L203-L207 HydrophobicContact CD1-CG 3.95Å; L203-L207 HydrophobicContact CG-CD1 4.13Å; L203-L207 WeakPolarHBondContact O-CB 3.11Å; L203-L207 PolarHBondContact O-N 3.03Å
204	R	97.7	Very high	98.1	Very high	49 Å²	49	49.4 Å²	49.4	19%	0.185	25%	0.25	C	S	.	.	H	α-helix	trans	-58.5	-46.1	177.8	179.2	171.1	65.6	-132.1	5.2	112	Y198 D200 S208 L209	Y198-R204 HydrophobicContact CD2-CG 4.41Å; Y198-R204 HydrophobicContact CE2-CG 4.1Å; Y198-R204 WeakPolarHBondContact O-CD 3.07Å; Y198-R204 PolarHBondContact O-NH1 3.47Å; D200-R204 VanDerWaalsContact O-CB 3.29Å; D200-R204 WeakPolarHBondContact O-CB 3.43Å; D200-R204 PolarHBondContact O-N 3.27Å; R204-S208 VanDerWaalsContact O-CA 3.31Å; R204-S208 WeakPolarHBondContact O-CA 3.43Å; R204-S208 PolarHBondContact O-N 3.37Å; R204-L209 HydrophobicContact CG-CB 4.19Å; R204-L209 PolarHBondContact O-N 2.78Å
205	E	97.4	Very high	98.1	Very high	160 Å²	160	49.2 Å²	49.2	75%	0.748	25%	0.25	S	C	*	.	H	α-helix	trans	-67.3	-50.7	176.4	-174.3	177.6	-178.9	0	0	111.1	P201 L203 L207 S208	P201-E205 WeakPolarHBondContact O-CB 3.11Å; P201-E205 PolarHBondContact O-N 2.82Å; L203-E205 PolarHBondContact O-N 2.85Å; E205-L207 VanDerWaalsContact C-N 3.3Å; E205-L207 PolarHBondContact O-N 2.84Å; E205-S208 PolarHBondContact O-N 3.41Å; E205-S208 VanDerWaalsContact O-N 3.13Å
206	K	97.6	Very high	98.1	Very high	169 Å²	169	54.9 Å²	54.9	74%	0.735	27%	0.271	S	S	*	.	H	α-helix	trans	-56.5	-41.5	-177.5	179.7	179.9	179.9	-179.6	0	113.1	G202 L203	G202-K206 WeakPolarHBondContact O-CB 3.46Å; G202-K206 PolarHBondContact O-N 3.45Å; L203-K206 PolarHBondContact O-N 3.42Å
207	L	96.9	Very high	98.1	Very high	10 Å²	10	49 Å²	49	5%	0.052	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.7	2.7	-177.9	-61.4	-173.8	0	0	0	113.4	R134 T174 Q177 I178 L203 E205 L209	R134-L207 WeakPolarHBondContact CB-O 3.37Å; T174-L207 HydrophobicContact CG2-CB 4.13Å; Q177-L207 HydrophobicContact CB-CD1 4.38Å; I178-L207 HydrophobicContact CD1-CD1 3.63Å; I178-L207 HydrophobicContact CG1-CD1 4.2Å; L203-L207 HydrophobicContact CD1-CD1 3.55Å; L203-L207 HydrophobicContact CD1-CG 3.95Å; L203-L207 HydrophobicContact CG-CD1 4.13Å; L203-L207 WeakPolarHBondContact O-CB 3.11Å; L203-L207 PolarHBondContact O-N 3.03Å; E205-L207 VanDerWaalsContact C-N 3.3Å; E205-L207 PolarHBondContact O-N 2.84Å; L207-L209 VanDerWaalsContact C-N 3.32Å; L207-L209 HydrophobicContact CB-CD2 3.68Å; L207-L209 HydrophobicContact CB-CG 3.99Å; L207-L209 PolarHBondContact O-N 3.16Å
208	S	98	Very high	98.2	Very high	47 Å²	47	48 Å²	48	33%	0.329	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.4	52.5	-178.2	-50.1	0	0	0	0	112.2	S133 R134 R204 E205 N210	S133-S208 PolarHBondContact OG-O 2.86Å; R134-S208 PolarHBondContact N-O 3.21Å; R204-S208 VanDerWaalsContact O-CA 3.31Å; R204-S208 WeakPolarHBondContact O-CA 3.43Å; R204-S208 PolarHBondContact O-N 3.37Å; E205-S208 PolarHBondContact O-N 3.41Å; E205-S208 VanDerWaalsContact O-N 3.13Å; S208-N210 PolarHBondContact O-OD1 2.68Å
209	L	98.5	Very high	98.2	Very high	3 Å²	3	47.7 Å²	47.7	2%	0.016	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	135	177.7	-47.3	-179.3	0	0	0	109.5	L135 T174 I178 Y198 R204 L207	L135-L209 HydrophobicContact CB-CD2 3.79Å; L135-L209 HydrophobicContact CD2-CD2 3.91Å; L135-L209 HydrophobicContact CG-CD2 4.17Å; L135-L209 WeakPolarHBondContact O-CA 3.37Å; T174-L209 HydrophobicContact CG2-CD2 4.36Å; I178-L209 HydrophobicContact CD1-CD1 4.09Å; I178-L209 HydrophobicContact CD1-CD2 4.41Å; Y198-L209 HydrophobicContact CD2-CB 3.87Å; Y198-L209 HydrophobicContact CE2-CB 4.16Å; R204-L209 HydrophobicContact CG-CB 4.19Å; R204-L209 PolarHBondContact O-N 2.78Å; L207-L209 VanDerWaalsContact C-N 3.32Å; L207-L209 HydrophobicContact CB-CD2 3.68Å; L207-L209 HydrophobicContact CB-CG 3.99Å; L207-L209 PolarHBondContact O-N 3.16Å
210	N	98.7	Very high	98.2	Very high	62 Å²	62	47.4 Å²	47.4	33%	0.332	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	165.5	179.3	-61.8	100.6	0	0	0	111.5	S133 L135 L136 F137 S208	S133-N210 WeakPolarHBondContact CA-OD1 3.21Å; S133-N210 WeakPolarHBondContact CB-OD1 3.34Å; S133-N210 PolarHBondContact OG-OD1 2.91Å; L135-N210 PolarHBondContact O-N 2.9Å; L135-N210 VanDerWaalsContact O-N 3.07Å; L136-N210 WeakPolarHBondContact CA-O 3.49Å; L136-N210 HydrophobicContact CD1-CB 3.75Å; F137-N210 PolarHBondContact N-O 3.24Å; S208-N210 PolarHBondContact O-OD1 2.68Å
211	L	98.8	Very high	98.2	Very high	6 Å²	6	43.7 Å²	43.7	3%	0.031	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	145.5	170.1	-42.5	177.8	0	0	0	110.3	F137 A139 Y153 R161 L163 Y198 H213	F137-L211 HydrophobicContact CB-CD2 3.76Å; F137-L211 CarbonylContact O-C 3.4Å; F137-L211 WeakPolarHBondContact O-CA 3.39Å; A139-L211 HydrophobicContact CB-CB 4.03Å; Y153-L211 HydrophobicContact CD1-CD1 4.28Å; Y153-L211 HydrophobicContact CE1-CD1 4.03Å; R161-L211 VanDerWaalsContact O-CD1 3.23Å; R161-L211 WeakPolarHBondContact O-CD1 3.45Å; L163-L211 HydrophobicContact CB-CD1 4.36Å; L163-L211 HydrophobicContact CB-CD2 3.79Å; L163-L211 HydrophobicContact CD1-CD2 3.9Å; L163-L211 HydrophobicContact CG-CD2 3.98Å; Y198-L211 HydrophobicContact CD1-CD2 4.37Å; Y198-L211 HydrophobicContact CD2-CD2 3.99Å; Y198-L211 HydrophobicContact CE1-CD1 3.86Å; Y198-L211 HydrophobicContact CE1-CD2 4.12Å; Y198-L211 HydrophobicContact CE1-CG 4Å; Y198-L211 HydrophobicContact CE2-CD2 3.73Å; Y198-L211 HydrophobicContact CE2-CG 3.93Å; Y198-L211 HydrophobicContact CG-CD2 4.31Å; L211-H213 PolarHBondContact O-CD2 2.9Å; L211-H213 PolarHBondContact O-N 3.35Å
212	D	98.8	Very high	98.2	Very high	6 Å²	6	41.6 Å²	41.6	3%	0.032	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	67.7	176	-174.6	20.4	0	0	0	111.9	L136 F137 A139 K214 S215 R216 I217 F218	L136-D212 HydrophobicContact CD1-CB 4.29Å; L136-D212 HydrophobicContact CD2-CB 4.16Å; L136-D212 HydrophobicContact CG-CB 4.23Å; F137-D212 PolarHBondContact O-N 3.46Å; A139-D212 WeakPolarHBondContact CB-O 3.25Å; D212-K214 PolarHBondContact O-N 2.94Å; D212-S215 PolarHBondContact O-N 3.5Å; D212-S215 VanDerWaalsContact O-N 3.11Å; D212-R216 VanDerWaalsContact CG-N 3.33Å; D212-R216 PolarHBondContact OD1-N 2.85Å; D212-R216 PolarHBondContact OD2-N 2.04Å; D212-I217 WeakPolarHBondContact OD2-CA 3.45Å; D212-I217 PolarHBondContact OD2-N 3.45Å; D212-F218 HydrophobicContact CB-CD2 4.17Å; D212-F218 PolarHBondContact OD2-N 3.16Å
213	H	98.6	Very high	98.2	Very high	49 Å²	49	41.2 Å²	41.2	23%	0.227	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-22.5	-171.4	-58.3	-63.9	0	0	0	115.6	G159 K160 L211	G159-H213 CarbonylContact C-O 3.56Å; G159-H213 WeakPolarHBondContact CA-O 3.2Å; K160-H213 PolarHBondContact N-O 3.5Å; K160-H213 PolarHBondContact O-ND1 3.3Å; L211-H213 PolarHBondContact O-CD2 2.9Å; L211-H213 PolarHBondContact O-N 3.35Å
214	K	98.5	Very high	98.2	Very high	68 Å²	68	40 Å²	40	30%	0.296	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115.8	19.4	-175.4	-64.3	-166.4	176.9	-163.4	0	113	T158 D212 R216 Y244 T246	T158-K214 WeakPolarHBondContact O-CE 3.32Å; T158-K214 PolarHBondContact OG1-NZ 3.37Å; D212-K214 PolarHBondContact O-N 2.94Å; K214-R216 VanDerWaalsContact C-N 3.29Å; K214-R216 PolarHBondContact O-N 3.31Å; K214-Y244 HydrophobicContact CB-CD1 4.42Å; K214-Y244 HydrophobicContact CB-CD2 4.25Å; K214-Y244 HydrophobicContact CB-CG 3.97Å; K214-Y244 HydrophobicContact CD-CD1 4.5Å; K214-Y244 HydrophobicContact CG-CD1 4.21Å; K214-Y244 HydrophobicContact CG-CG 4.27Å; K214-T246 VanDerWaalsContact O-CG2 3.29Å; K214-T246 WeakPolarHBondContact O-CG2 3.47Å; K214-T246 PolarHBondContact O-OG1 3.02Å
215	S	98.6	Very high	98.2	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.007	21%	0.205	C	C	.	.			trans	51.9	43.4	177.5	-47.2	0	0	0	0	113.4	D212 F218 T246 P248	D212-S215 PolarHBondContact O-N 3.5Å; D212-S215 VanDerWaalsContact O-N 3.11Å; S215-F218 WeakPolarHBondContact CA-O 3.29Å; S215-F218 VanDerWaalsContact CB-O 3.26Å; S215-F218 WeakPolarHBondContact CB-O 3.25Å; S215-T246 PolarHBondContact O-OG1 3.19Å; S215-T246 VanDerWaalsContact O-OG1 3.04Å; S215-P248 WeakPolarHBondContact O-CG 3.33Å
216	R	98.6	Very high	98.1	Very high	124 Å²	124	40.3 Å²	40.3	47%	0.468	21%	0.205	S	C	.	.	S	Bend	trans	-72.5	-37.5	-179.6	-68.2	-174.7	-178.9	93.5	-6	111.5	K127 D212 K214 T246	K127-R216 WeakPolarHBondContact CD-O 3.27Å; K127-R216 WeakPolarHBondContact CE-O 3.4Å; K127-R216 PolarHBondContact NZ-O 2.96Å; D212-R216 VanDerWaalsContact CG-N 3.33Å; D212-R216 PolarHBondContact OD1-N 2.85Å; D212-R216 PolarHBondContact OD2-N 2.04Å; K214-R216 VanDerWaalsContact C-N 3.29Å; K214-R216 PolarHBondContact O-N 3.31Å; R216-T246 HydrophobicContact CG-CG2 3.87Å
217	I	98.8	Very high	98.1	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.005	18%	0.176	C	C	.	.	S	Bend	trans	-109.9	-51.7	179.7	-64.1	-179.8	0	0	0	109.5	L124 K127 F128 L136 I169 D212 V249 V250	L124-I217 HydrophobicContact CD1-CB 4.45Å; L124-I217 HydrophobicContact CD1-CD1 4.14Å; L124-I217 HydrophobicContact CD1-CG1 4.34Å; L124-I217 HydrophobicContact CD1-CG2 3.34Å; K127-I217 HydrophobicContact CB-CD1 3.8Å; K127-I217 HydrophobicContact CB-CG1 3.68Å; K127-I217 HydrophobicContact CD-CG1 4.1Å; F128-I217 HydrophobicContact CB-CD1 4.19Å; L136-I217 HydrophobicContact CD2-CD1 3.84Å; I169-I217 HydrophobicContact CG2-CD1 4.41Å; D212-I217 WeakPolarHBondContact OD2-CA 3.45Å; D212-I217 PolarHBondContact OD2-N 3.45Å; I217-V249 HydrophobicContact CG2-CB 4.36Å; I217-V249 WeakPolarHBondContact O-CA 3.26Å; I217-V249 PolarHBondContact O-N 3.01Å; I217-V250 PolarHBondContact O-N 2.69Å
218	F	98.9	Very high	98.2	Very high	3 Å²	3	34 Å²	34	1%	0.013	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	127.9	-172.6	-55	-82.5	0	0	0	111.5	M108 V110 I169 D212 S215 V250	M108-F218 HydrophobicContact CG-CE1 4.39Å; M108-F218 HydrophobicContact CG-CZ 4.45Å; M108-F218 HydrophobicContact SD-CE1 4.15Å; M108-F218 HydrophobicContact SD-CZ 4.42Å; V110-F218 HydrophobicContact CG1-CE1 4.35Å; I169-F218 HydrophobicContact CB-CZ 4.12Å; I169-F218 HydrophobicContact CG2-CE2 3.87Å; I169-F218 HydrophobicContact CG2-CZ 3.79Å; D212-F218 HydrophobicContact CB-CD2 4.17Å; D212-F218 PolarHBondContact OD2-N 3.16Å; S215-F218 WeakPolarHBondContact CA-O 3.29Å; S215-F218 VanDerWaalsContact CB-O 3.26Å; S215-F218 WeakPolarHBondContact CB-O 3.25Å; F218-V250 HydrophobicContact CD1-CB 3.74Å; F218-V250 HydrophobicContact CD1-CG1 4.1Å; F218-V250 HydrophobicContact CD1-CG2 3.82Å; F218-V250 HydrophobicContact CE1-CB 4.3Å; F218-V250 HydrophobicContact CE1-CG2 3.87Å
219	Q	98.8	Very high	98.2	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.005	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	106.2	168.8	179.1	69.8	56.9	0	0	109.6	L221 V228 I239 N241 P248 V250 H252	Q219-L221 HydrophobicContact CG-CD2 4.11Å; Q219-V228 HydrophobicContact CG-CG2 3.77Å; Q219-I239 HydrophobicContact CB-CD1 3.78Å; Q219-I239 HydrophobicContact CG-CD1 3.68Å; Q219-N241 PolarHBondContact OE1-ND2 3.07Å; Q219-P248 HydrophobicContact CB-CB 3.67Å; Q219-P248 HydrophobicContact CB-CG 3.61Å; Q219-P248 HydrophobicContact CG-CG 4.33Å; Q219-V250 PolarHBondContact N-O 2.91Å; Q219-H252 PolarHBondContact O-N 2.74Å
220	N	98.8	Very high	98.2	Very high	5 Å²	5	35.5 Å²	35.5	3%	0.027	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	132.8	164.1	-64.7	-50.6	0	0	0	108.5	S138 A139 E140 H252	S138-N220 WeakPolarHBondContact CB-ND2 3.34Å; S138-N220 PolarHBondContact OG-ND2 3.33Å; S138-N220 VanDerWaalsContact OG-ND2 3.1Å; A139-N220 PolarHBondContact O-ND2 3.11Å; E140-N220 HydrophobicContact CB-CB 4.34Å; N220-H252 WeakPolarHBondContact OD1-CB 3.19Å; N220-H252 PolarHBondContact OD1-ND1 2.75Å
221	L	98.5	Very high	98.2	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.005	19%	0.187	C	C	.	.			trans	-85.2	-29.5	-174.1	-68.5	-173.7	0	0	0	112.8	Q219 G223 A224 L225 V228 V251 H252 N254 T257 Q260 L261 L264	Q219-L221 HydrophobicContact CG-CD2 4.11Å; L221-G223 PolarHBondContact O-N 3.18Å; L221-A224 PolarHBondContact O-N 2.73Å; L221-L225 HydrophobicContact CB-CD2 3.94Å; L221-L225 PolarHBondContact O-N 3.38Å; L221-V228 HydrophobicContact CD2-CG1 4.4Å; L221-V228 HydrophobicContact CD2-CG2 4.02Å; L221-V251 HydrophobicContact CD1-CG1 4.36Å; L221-V251 HydrophobicContact CD2-CG1 4.04Å; L221-V251 HydrophobicContact CG-CG1 4.24Å; L221-H252 WeakPolarHBondContact CG-O 3.37Å; L221-H252 PolarHBondContact N-O 3.49Å; L221-N254 PolarHBondContact N-OD1 3.32Å; L221-N254 VanDerWaalsContact N-OD1 3.1Å; L221-T257 HydrophobicContact CB-CG2 4.08Å; L221-T257 WeakPolarHBondContact CB-OG1 3.42Å; L221-Q260 HydrophobicContact CD1-CB 4.33Å; L221-L261 HydrophobicContact CD1-CB 4.07Å; L221-L261 HydrophobicContact CD1-CD1 4.33Å; L221-L264 HydrophobicContact CD1-CD1 3.94Å; L221-L264 HydrophobicContact CD2-CD1 4.06Å
222	N	97.9	Very high	98.1	Very high	39 Å²	39	39.7 Å²	39.7	21%	0.209	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	122.3	-177.2	-166.8	20	0	0	0	111.6	A224 N254 T257	N222-A224 VanDerWaalsContact C-N 3.29Å; N222-A224 PolarHBondContact O-N 3.38Å; N222-N254 WeakPolarHBondContact CB-ND2 3.3Å; N222-N254 WeakPolarHBondContact CB-OD1 3.49Å; N222-N254 PolarHBondContact N-OD1 2.86Å; N222-T257 HydrophobicContact CB-CG2 4.21Å
223	G	97.2	Very high	97.9	Very high	36 Å²	36	42.5 Å²	42.5	37%	0.371	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.6	22	-176.1	0	0	0	0	0	114.6	S141 L221	S141-G223 PolarHBondContact OG-O 2.99Å; L221-G223 PolarHBondContact O-N 3.18Å
224	A	97.6	Very high	97.7	Very high	1 Å²	1	48 Å²	48	1%	0.008	23%	0.234	C	C	.	.			trans	-148.1	23.3	177.7	0	0	0	0	0	113.3	L221 N222 D226 E227	L221-A224 PolarHBondContact O-N 2.73Å; N222-A224 VanDerWaalsContact C-N 3.29Å; N222-A224 PolarHBondContact O-N 3.38Å; A224-D226 VanDerWaalsContact C-N 3.34Å; A224-D226 PolarHBondContact O-N 3.37Å; A224-E227 HydrophobicContact CB-CB 4.5Å; A224-E227 HydrophobicContact CB-CG 4.27Å; A224-E227 WeakPolarHBondContact O-CB 3.48Å; A224-E227 PolarHBondContact O-N 2.95Å
225	L	96.4	Very high	97.5	Very high	75 Å²	75	49.1 Å²	49.1	39%	0.393	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-63.6	-38.7	-176.8	-68.4	-179.2	0	0	0	112.6	L221 E227 V228 T257 Q260	L221-L225 HydrophobicContact CB-CD2 3.94Å; L221-L225 PolarHBondContact O-N 3.38Å; L225-E227 PolarHBondContact O-N 3.34Å; L225-V228 PolarHBondContact O-N 3.07Å; L225-T257 HydrophobicContact CD1-CG2 4.33Å; L225-T257 HydrophobicContact CD2-CG2 4Å; L225-T257 HydrophobicContact CG-CG2 4.33Å; L225-Q260 HydrophobicContact CD1-CG 3.92Å; L225-Q260 HydrophobicContact CD2-CB 3.81Å; L225-Q260 HydrophobicContact CD2-CG 3.74Å; L225-Q260 HydrophobicContact CG-CG 4.46Å
226	D	95.9	Very high	97.3	Very high	139 Å²	139	53.4 Å²	53.4	74%	0.743	26%	0.259	S	S	*	.	G	3₁₀ helix	trans	-70	-14.1	177.2	61.2	-44	0	0	0	113.5	A224	A224-D226 VanDerWaalsContact C-N 3.34Å; A224-D226 PolarHBondContact O-N 3.37Å
227	E	97.8	Very high	97.3	Very high	27 Å²	27	47.5 Å²	47.5	13%	0.126	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-86.1	-14.1	176.7	-53.3	-177	177	0	0	112.6	K160 A224 L225 N241 V242 A243	K160-E227 IonicContact NZ-OE1 3.36Å; K160-E227 PolarHBondContact NZ-OE1 2.86Å; K160-E227 IonicContact NZ-OE2 2.93Å; K160-E227 PolarHBondContact NZ-OE2 2.81Å; A224-E227 HydrophobicContact CB-CB 4.5Å; A224-E227 HydrophobicContact CB-CG 4.27Å; A224-E227 WeakPolarHBondContact O-CB 3.48Å; A224-E227 PolarHBondContact O-N 2.95Å; L225-E227 PolarHBondContact O-N 3.34Å; E227-N241 CarbonylContact O-C 3.57Å; E227-N241 WeakPolarHBondContact O-CA 3.32Å; E227-N241 PolarHBondContact OE2-ND2 3.16Å; E227-V242 WeakPolarHBondContact O-CG2 3.11Å; E227-V242 PolarHBondContact O-N 2.8Å; E227-A243 HydrophobicContact CB-CB 4.32Å; E227-A243 HydrophobicContact CG-CB 4.02Å
228	V	98.4	Very high	97.3	Very high	19 Å²	19	48.1 Å²	48.1	12%	0.115	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	124.2	-166.6	178.2	0	0	0	0	111.2	Q219 L221 L225 I239 L264	Q219-V228 HydrophobicContact CG-CG2 3.77Å; L221-V228 HydrophobicContact CD2-CG1 4.4Å; L221-V228 HydrophobicContact CD2-CG2 4.02Å; L225-V228 PolarHBondContact O-N 3.07Å; V228-I239 HydrophobicContact CG1-CB 3.89Å; V228-I239 HydrophobicContact CG1-CD1 3.94Å; V228-I239 HydrophobicContact CG1-CG2 3.92Å; V228-L264 HydrophobicContact CG1-CD1 4.19Å
229	V	98.3	Very high	97.3	Very high	57 Å²	57	48 Å²	48	35%	0.345	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	150.1	173.7	-58	0	0	0	0	111.5	K231 I239 R240 V242	V229-K231 PolarHBondContact O-N 2.96Å; V229-I239 CarbonylContact O-C 3.6Å; V229-I239 WeakPolarHBondContact O-CA 3.37Å; V229-R240 HydrophobicContact CG2-CB 4.09Å; V229-R240 PolarHBondContact N-O 2.83Å; V229-R240 PolarHBondContact O-N 3.21Å; V229-V242 HydrophobicContact CG1-CG1 4.17Å; V229-V242 HydrophobicContact CG2-CG1 3.67Å
230	L	98.4	Very high	97.3	Very high	25 Å²	25	52 Å²	52	13%	0.131	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	128.8	171.3	-70.4	171.9	0	0	0	110.3	F232 V237 I239 Y263 L264 Y267 V268	L230-F232 HydrophobicContact CB-CD2 4.33Å; L230-F232 HydrophobicContact CB-CE2 3.7Å; L230-F232 HydrophobicContact CB-CZ 4.2Å; L230-F232 HydrophobicContact CD1-CE2 4.22Å; L230-F232 HydrophobicContact CD1-CZ 3.98Å; L230-V237 HydrophobicContact CB-CG1 4.29Å; L230-V237 HydrophobicContact CD2-CG1 3.87Å; L230-I239 HydrophobicContact CD2-CG2 4.43Å; L230-Y263 HydrophobicContact CD1-CE1 4.08Å; L230-Y263 HydrophobicContact CD1-CE2 4.49Å; L230-Y263 WeakPolarHBondContact CD1-OH 3.01Å; L230-Y263 HydrophobicContact CG-CE1 4.5Å; L230-L264 HydrophobicContact CD2-CD2 3.64Å; L230-L264 HydrophobicContact CG-CD2 4.01Å; L230-Y267 HydrophobicContact CD1-CD1 4.5Å; L230-Y267 HydrophobicContact CD1-CD2 3.48Å; L230-Y267 VanDerWaalsContact CD1-CD2 3.48Å; L230-Y267 HydrophobicContact CD1-CE2 3.87Å; L230-Y267 HydrophobicContact CD1-CG 3.84Å; L230-Y267 HydrophobicContact CD2-CD2 4.43Å; L230-Y267 HydrophobicContact CD2-CG 4.45Å; L230-V268 HydrophobicContact CD2-CG2 3.78Å
231	K	98.1	Very high	97.2	Very high	86 Å²	86	51.8 Å²	51.8	37%	0.374	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	103.3	171.2	-174.6	-171.9	176.9	-57.3	0	109.2	V229 R238 R240 L247	V229-K231 PolarHBondContact O-N 2.96Å; K231-R238 PolarHBondContact N-O 3.31Å; K231-R238 PolarHBondContact O-N 2.73Å; K231-R240 HydrophobicContact CB-CB 4.36Å; K231-L247 HydrophobicContact CD-CD2 3.69Å
232	F	97.4	Very high	97.2	Very high	71 Å²	71	55.5 Å²	55.5	31%	0.311	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	141.7	176.5	-66.7	-90.8	0	0	0	111.8	L230 V237 Y267 W272 P274	L230-F232 HydrophobicContact CB-CD2 4.33Å; L230-F232 HydrophobicContact CB-CE2 3.7Å; L230-F232 HydrophobicContact CB-CZ 4.2Å; L230-F232 HydrophobicContact CD1-CE2 4.22Å; L230-F232 HydrophobicContact CD1-CZ 3.98Å; F232-V237 HydrophobicContact CD1-CB 4.47Å; F232-V237 HydrophobicContact CD1-CG1 4.05Å; F232-V237 HydrophobicContact CD1-CG2 3.54Å; F232-V237 HydrophobicContact CE1-CG1 4.12Å; F232-V237 HydrophobicContact CE1-CG2 3.78Å; F232-V237 HydrophobicContact CG-CG1 4.34Å; F232-V237 HydrophobicContact CG-CG2 4.43Å; F232-V237 HydrophobicContact CZ-CG1 4.46Å; F232-Y267 AromaticContact CE1-CD1 3.73Å; F232-Y267 HydrophobicContact CE1-CD1 3.73Å; F232-Y267 HydrophobicContact CE1-CE1 4.1Å; F232-Y267 AromaticContact CZ-CD1 3.92Å; F232-Y267 HydrophobicContact CZ-CD1 3.92Å; F232-Y267 HydrophobicContact CZ-CE1 4.06Å; F232-Y267 HydrophobicContact CZ-CG 4.49Å; F232-W272 HydrophobicContact CD1-CZ3 4.33Å; F232-W272 HydrophobicContact CE1-CE3 4.05Å; F232-W272 AromaticContact CE1-CZ3 3.87Å; F232-W272 HydrophobicContact CE1-CZ3 3.87Å; F232-P274 HydrophobicContact CB-CG 4.34Å; F232-P274 HydrophobicContact CD1-CG 3.99Å
233	D	95.3	Very high	97.2	Very high	64 Å²	64	56.5 Å²	56.5	34%	0.342	29%	0.289	S	S	.	.			trans	-126.4	175	165.2	-157.8	-20.5	0	0	0	106.6	N235 R236 P274	D233-N235 PolarHBondContact O-N 2.99Å; D233-R236 CarbonylContact C-O 3.56Å; D233-R236 WeakPolarHBondContact CA-O 3.41Å; D233-R236 HydrophobicContact CB-CG 3.69Å; D233-R236 WeakPolarHBondContact CB-O 3.41Å; D233-R236 PolarHBondContact N-O 2.88Å; D233-R236 IonicContact OD2-CZ 2.69Å; D233-R236 IonicContact OD2-NE 2.68Å; D233-R236 PolarHBondContact OD2-NE 3.28Å; D233-R236 VanDerWaalsContact OD2-NE 3.11Å; D233-R236 IonicContact OD2-NH2 2.63Å; D233-R236 PolarHBondContact OD2-NH2 3.02Å; D233-P274 VanDerWaalsContact O-CD 3.31Å; D233-P274 WeakPolarHBondContact O-CD 3.32Å
234	R	93.5	Very high	97.3	Very high	166 Å²	166	57.2 Å²	57.2	63%	0.626	28%	0.28	S	S	*	.	S	Bend	trans	-57.6	-51.5	-174.8	-71.9	179.4	178.4	-127.3	11	113.4	E275	R234-E275 HydrophobicContact CB-CG 4.22Å; R234-E275 VanDerWaalsContact CD-OE1 3.22Å; R234-E275 WeakPolarHBondContact CD-OE1 3.32Å; R234-E275 VanDerWaalsContact CG-OE1 3.29Å; R234-E275 WeakPolarHBondContact CG-OE1 3.26Å; R234-E275 IonicContact CZ-OE1 3.81Å; R234-E275 IonicContact NE-OE1 2.75Å; R234-E275 IonicContact NH1-OE1 3.78Å; R234-E275 PolarHBondContact NH1-OE1 3.17Å; R234-E275 WeakPolarHBondContact O-CB 3.29Å; R234-E275 PolarHBondContact O-N 3.14Å; R234-E275 VanDerWaalsContact O-N 3.14Å
235	N	93.9	Very high	97.3	Very high	90 Å²	90	62 Å²	62	48%	0.481	31%	0.306	S	S	.	.	S	Bend	trans	-126.3	21.3	-173.5	-68.6	-59.6	0	0	0	113	D233 T273 E275	D233-N235 PolarHBondContact O-N 2.99Å; N235-T273 VanDerWaalsContact C-CG2 3.48Å; N235-E275 PolarHBondContact ND2-OE2 3.39Å
236	R	95.3	Very high	97.4	Very high	92 Å²	92	59.2 Å²	59.2	35%	0.347	29%	0.292	S	S	.	.			trans	-158.1	160.9	172.1	64.6	176.9	179.2	179.5	-2.1	110.5	F60 D233 P269	F60-R236 HydrophobicContact CZ-CB 4.44Å; D233-R236 CarbonylContact C-O 3.56Å; D233-R236 WeakPolarHBondContact CA-O 3.41Å; D233-R236 HydrophobicContact CB-CG 3.69Å; D233-R236 WeakPolarHBondContact CB-O 3.41Å; D233-R236 PolarHBondContact N-O 2.88Å; D233-R236 IonicContact OD2-CZ 2.69Å; D233-R236 IonicContact OD2-NE 2.68Å; D233-R236 PolarHBondContact OD2-NE 3.28Å; D233-R236 VanDerWaalsContact OD2-NE 3.11Å; D233-R236 IonicContact OD2-NH2 2.63Å; D233-R236 PolarHBondContact OD2-NH2 3.02Å; R236-P269 CarbonylContact C-O 3.15Å; R236-P269 WeakPolarHBondContact CA-O 3.35Å; R236-P269 WeakPolarHBondContact CB-O 3.48Å
237	V	98.2	Very high	97.5	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	143.1	172.4	-169.5	0	0	0	0	108.9	L230 F232 V268 P269 W272 T273	L230-V237 HydrophobicContact CB-CG1 4.29Å; L230-V237 HydrophobicContact CD2-CG1 3.87Å; F232-V237 HydrophobicContact CD1-CB 4.47Å; F232-V237 HydrophobicContact CD1-CG1 4.05Å; F232-V237 HydrophobicContact CD1-CG2 3.54Å; F232-V237 HydrophobicContact CE1-CG1 4.12Å; F232-V237 HydrophobicContact CE1-CG2 3.78Å; F232-V237 HydrophobicContact CG-CG1 4.34Å; F232-V237 HydrophobicContact CG-CG2 4.43Å; F232-V237 HydrophobicContact CZ-CG1 4.46Å; V237-V268 HydrophobicContact CB-CG2 4.26Å; V237-V268 HydrophobicContact CG1-CG2 4.09Å; V237-P269 PolarHBondContact N-O 2.91Å; V237-P269 WeakPolarHBondContact O-CA 3.21Å; V237-W272 VanDerWaalsContact CG2-O 3.28Å; V237-W272 WeakPolarHBondContact CG2-O 3.39Å; V237-T273 HydrophobicContact CG2-CG2 4.47Å
238	R	98.4	Very high	97.6	Very high	14 Å²	14	53.6 Å²	53.6	5%	0.053	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	175.8	172.6	-63.3	-167.6	69.2	173.8	3.5	109.6	A118 E123 K231 L247 P248	A118-R238 WeakPolarHBondContact O-CD 3.34Å; A118-R238 PolarHBondContact O-NE 2.95Å; E123-R238 VanDerWaalsContact CD-NH1 3.31Å; E123-R238 IonicContact OE1-CZ 3.76Å; E123-R238 IonicContact OE1-NH1 2.73Å; E123-R238 PolarHBondContact OE1-NH1 3.11Å; E123-R238 VanDerWaalsContact OE1-NH1 3.11Å; E123-R238 IonicContact OE1-NH2 3.55Å; E123-R238 PolarHBondContact OE1-NH2 3.39Å; E123-R238 IonicContact OE2-CZ 2.97Å; E123-R238 IonicContact OE2-NH1 3.65Å; E123-R238 PolarHBondContact OE2-NH1 3Å; E123-R238 IonicContact OE2-NH2 2.99Å; K231-R238 PolarHBondContact N-O 3.31Å; K231-R238 PolarHBondContact O-N 2.73Å; R238-L247 PolarHBondContact NH2-O 3.27Å; R238-L247 VanDerWaalsContact NH2-O 3.16Å; R238-P248 PolarHBondContact NH2-O 2.79Å
239	I	98.6	Very high	97.6	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	153.3	161.9	61.9	159.9	0	0	0	111.1	Q219 V228 V229 L230 L247 P248 V251 L264 V268	Q219-I239 HydrophobicContact CB-CD1 3.78Å; Q219-I239 HydrophobicContact CG-CD1 3.68Å; V228-I239 HydrophobicContact CG1-CB 3.89Å; V228-I239 HydrophobicContact CG1-CD1 3.94Å; V228-I239 HydrophobicContact CG1-CG2 3.92Å; V229-I239 CarbonylContact O-C 3.6Å; V229-I239 WeakPolarHBondContact O-CA 3.37Å; L230-I239 HydrophobicContact CD2-CG2 4.43Å; I239-L247 WeakPolarHBondContact O-CD2 3.49Å; I239-P248 HydrophobicContact CD1-CB 4.06Å; I239-P248 HydrophobicContact CD1-CG 3.83Å; I239-P248 HydrophobicContact CG1-CB 4.25Å; I239-P248 HydrophobicContact CG1-CG 4.08Å; I239-V251 HydrophobicContact CD1-CB 4.21Å; I239-V251 HydrophobicContact CD1-CG1 3.84Å; I239-V251 HydrophobicContact CD1-CG2 3.43Å; I239-V251 VanDerWaalsContact CD1-CG2 3.43Å; I239-V251 HydrophobicContact CG1-CG2 3.71Å; I239-L264 HydrophobicContact CG2-CD1 4.17Å; I239-L264 HydrophobicContact CG2-CD2 3.91Å; I239-V268 HydrophobicContact CG2-CG2 4.17Å
240	R	98.6	Very high	97.6	Very high	85 Å²	85	50.1 Å²	50.1	32%	0.321	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	130.7	168.9	172.2	175.6	-100.1	-122.6	-18.3	108.6	V229 K231 V242 D245 T246 L247	V229-R240 HydrophobicContact CG2-CB 4.09Å; V229-R240 PolarHBondContact N-O 2.83Å; V229-R240 PolarHBondContact O-N 3.21Å; K231-R240 HydrophobicContact CB-CB 4.36Å; R240-V242 HydrophobicContact CG-CG1 4.39Å; R240-D245 IonicContact CZ-OD1 3.92Å; R240-D245 IonicContact NE-OD1 2.91Å; R240-D245 IonicContact NH1-OD1 2.74Å; R240-D245 PolarHBondContact NH1-OD1 2.79Å; R240-D245 IonicContact NH2-OD1 3.29Å; R240-D245 PolarHBondContact NH2-OD1 2.71Å; R240-D245 IonicContact NH2-OD2 2.73Å; R240-T246 WeakPolarHBondContact CA-O 3.42Å; R240-L247 HydrophobicContact CB-CD2 3.88Å; R240-L247 HydrophobicContact CG-CD2 4.35Å
241	N	98.5	Very high	97.6	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	113.7	165	-175.3	-60.8	0	0	0	108.1	Q219 E227 A243 Y244 D245 T246	Q219-N241 PolarHBondContact OE1-ND2 3.07Å; E227-N241 CarbonylContact O-C 3.57Å; E227-N241 WeakPolarHBondContact O-CA 3.32Å; E227-N241 PolarHBondContact OE2-ND2 3.16Å; N241-A243 WeakPolarHBondContact OD1-CB 3.42Å; N241-A243 PolarHBondContact OD1-N 2.72Å; N241-Y244 WeakPolarHBondContact OD1-CD2 3.46Å; N241-Y244 PolarHBondContact OD1-N 3.11Å; N241-D245 VanDerWaalsContact O-CA 3.3Å; N241-D245 WeakPolarHBondContact O-CA 3.3Å; N241-D245 PolarHBondContact O-N 2.84Å; N241-T246 WeakPolarHBondContact CB-OG1 3.44Å; N241-T246 PolarHBondContact N-O 3.4Å; N241-T246 PolarHBondContact O-N 2.61Å
242	V	98.3	Very high	97.7	Very high	80 Å²	80	45.2 Å²	45.2	49%	0.485	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-22.4	-176.4	-62.5	0	0	0	0	113.1	E227 V229 R240	E227-V242 WeakPolarHBondContact O-CG2 3.11Å; E227-V242 PolarHBondContact O-N 2.8Å; V229-V242 HydrophobicContact CG1-CG1 4.17Å; V229-V242 HydrophobicContact CG2-CG1 3.67Å; R240-V242 HydrophobicContact CG-CG1 4.39Å
243	A	97.8	Very high	97.7	Very high	59 Å²	59	41.9 Å²	41.9	49%	0.488	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-34.4	177.1	0	0	0	0	0	112.1	E227 N241	E227-A243 HydrophobicContact CB-CB 4.32Å; E227-A243 HydrophobicContact CG-CB 4.02Å; N241-A243 WeakPolarHBondContact OD1-CB 3.42Å; N241-A243 PolarHBondContact OD1-N 2.72Å
244	Y	97.9	Very high	97.8	Very high	51 Å²	51	39.3 Å²	39.3	20%	0.2	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.3	-0.4	-177	-50.9	-50.6	0	0	0	114.6	G159 K160 K214 N241 T246	G159-Y244 WeakPolarHBondContact CA-OH 3.15Å; K160-Y244 PolarHBondContact NZ-OH 3.49Å; K214-Y244 HydrophobicContact CB-CD1 4.42Å; K214-Y244 HydrophobicContact CB-CD2 4.25Å; K214-Y244 HydrophobicContact CB-CG 3.97Å; K214-Y244 HydrophobicContact CD-CD1 4.5Å; K214-Y244 HydrophobicContact CG-CD1 4.21Å; K214-Y244 HydrophobicContact CG-CG 4.27Å; N241-Y244 WeakPolarHBondContact OD1-CD2 3.46Å; N241-Y244 PolarHBondContact OD1-N 3.11Å; Y244-T246 VanDerWaalsContact C-N 3.3Å; Y244-T246 PolarHBondContact O-N 2.82Å
245	D	98.2	Very high	97.9	Very high	103 Å²	103	33.6 Å²	33.6	55%	0.551	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.8	39.3	-176.8	-164.8	41.7	0	0	0	113.4	R240 N241	R240-D245 IonicContact CZ-OD1 3.92Å; R240-D245 IonicContact NE-OD1 2.91Å; R240-D245 IonicContact NH1-OD1 2.74Å; R240-D245 PolarHBondContact NH1-OD1 2.79Å; R240-D245 IonicContact NH2-OD1 3.29Å; R240-D245 PolarHBondContact NH2-OD1 2.71Å; R240-D245 IonicContact NH2-OD2 2.73Å; N241-D245 VanDerWaalsContact O-CA 3.3Å; N241-D245 WeakPolarHBondContact O-CA 3.3Å; N241-D245 PolarHBondContact O-N 2.84Å
246	T	98.5	Very high	97.9	Very high	16 Å²	16	34.4 Å²	34.4	10%	0.098	19%	0.194	C	C	.	.	B	Isolated β-bridge	trans	-109.1	158.2	-176.4	57.2	0	0	0	0	112.7	K214 S215 R216 R240 N241 Y244 P248	K214-T246 VanDerWaalsContact O-CG2 3.29Å; K214-T246 WeakPolarHBondContact O-CG2 3.47Å; K214-T246 PolarHBondContact O-OG1 3.02Å; S215-T246 PolarHBondContact O-OG1 3.19Å; S215-T246 VanDerWaalsContact O-OG1 3.04Å; R216-T246 HydrophobicContact CG-CG2 3.87Å; R240-T246 WeakPolarHBondContact CA-O 3.42Å; N241-T246 WeakPolarHBondContact CB-OG1 3.44Å; N241-T246 PolarHBondContact N-O 3.4Å; N241-T246 PolarHBondContact O-N 2.61Å; Y244-T246 VanDerWaalsContact C-N 3.3Å; Y244-T246 PolarHBondContact O-N 2.82Å; T246-P248 WeakPolarHBondContact O-CD 3.32Å
247	L	98.7	Very high	98	Very high	48 Å²	48	30.2 Å²	30.2	25%	0.251	18%	0.179	S	C	.	.			trans	-115.6	89.2	172.6	-65.6	177.5	0	0	0	108.8	K127 K231 R238 I239 R240	K127-L247 PolarHBondContact NZ-O 2.99Å; K231-L247 HydrophobicContact CD-CD2 3.69Å; R238-L247 PolarHBondContact NH2-O 3.27Å; R238-L247 VanDerWaalsContact NH2-O 3.16Å; I239-L247 WeakPolarHBondContact O-CD2 3.49Å; R240-L247 HydrophobicContact CB-CD2 3.88Å; R240-L247 HydrophobicContact CG-CD2 4.35Å
248	P	98.8	Very high	97.9	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	20%	0.197	C	C	.	.			trans	-54	150.8	-179.5	-24.8	31.4	0	0	0	113.3	S215 Q219 R238 I239 T246	S215-P248 WeakPolarHBondContact O-CG 3.33Å; Q219-P248 HydrophobicContact CB-CB 3.67Å; Q219-P248 HydrophobicContact CB-CG 3.61Å; Q219-P248 HydrophobicContact CG-CG 4.33Å; R238-P248 PolarHBondContact NH2-O 2.79Å; I239-P248 HydrophobicContact CD1-CB 4.06Å; I239-P248 HydrophobicContact CD1-CG 3.83Å; I239-P248 HydrophobicContact CG1-CB 4.25Å; I239-P248 HydrophobicContact CG1-CG 4.08Å; T246-P248 WeakPolarHBondContact O-CD 3.32Å
249	V	98.8	Very high	97.9	Very high	0 Å²	0	36 Å²	36	0%	0	21%	0.206	C	C	.	.	S	Bend	trans	-93.7	-35.7	174	178.8	0	0	0	0	110.9	Y63 A118 G119 L124 K127 I217	Y63-V249 WeakPolarHBondContact OH-CG1 3.41Å; A118-V249 PolarHBondContact N-O 2.92Å; G119-V249 PolarHBondContact N-O 2.8Å; L124-V249 HydrophobicContact CB-CG1 4.12Å; L124-V249 HydrophobicContact CD1-CB 4.33Å; L124-V249 HydrophobicContact CD1-CG1 4.1Å; L124-V249 HydrophobicContact CD1-CG2 4.46Å; K127-V249 HydrophobicContact CD-CG2 4.24Å; I217-V249 HydrophobicContact CG2-CB 4.36Å; I217-V249 WeakPolarHBondContact O-CA 3.26Å; I217-V249 PolarHBondContact O-N 3.01Å
250	V	98.9	Very high	97.8	Very high	2 Å²	2	39.3 Å²	39.3	1%	0.012	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	132.5	-179.4	-175.8	0	0	0	0	108.1	M108 V110 V115 L117 I217 F218 Q219	M108-V250 HydrophobicContact CE-CG2 4.22Å; M108-V250 HydrophobicContact SD-CG2 3.87Å; V110-V250 HydrophobicContact CG1-CG1 3.98Å; V110-V250 HydrophobicContact CG1-CG2 4.37Å; V115-V250 HydrophobicContact CG1-CG1 3.58Å; L117-V250 HydrophobicContact CD2-CB 4.46Å; L117-V250 HydrophobicContact CD2-CG1 4.37Å; L117-V250 HydrophobicContact CD2-CG2 3.87Å; I217-V250 PolarHBondContact O-N 2.69Å; F218-V250 HydrophobicContact CD1-CB 3.74Å; F218-V250 HydrophobicContact CD1-CG1 4.1Å; F218-V250 HydrophobicContact CD1-CG2 3.82Å; F218-V250 HydrophobicContact CE1-CB 4.3Å; F218-V250 HydrophobicContact CE1-CG2 3.87Å; Q219-V250 PolarHBondContact N-O 2.91Å
251	V	98.9	Very high	97.8	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	123	172.6	-166.7	0	0	0	0	108	V115 I116 A118 L221 I239 L261 L264	V115-V251 VanDerWaalsContact CA-O 3.32Å; V115-V251 WeakPolarHBondContact CA-O 3.33Å; I116-V251 HydrophobicContact CD1-CB 4.41Å; I116-V251 HydrophobicContact CG1-CB 3.77Å; I116-V251 HydrophobicContact CG1-CG2 4.08Å; I116-V251 PolarHBondContact N-O 3.44Å; I116-V251 PolarHBondContact O-N 3.08Å; A118-V251 HydrophobicContact CB-CG2 4.15Å; L221-V251 HydrophobicContact CD1-CG1 4.36Å; L221-V251 HydrophobicContact CD2-CG1 4.04Å; L221-V251 HydrophobicContact CG-CG1 4.24Å; I239-V251 HydrophobicContact CD1-CB 4.21Å; I239-V251 HydrophobicContact CD1-CG1 3.84Å; I239-V251 HydrophobicContact CD1-CG2 3.43Å; I239-V251 VanDerWaalsContact CD1-CG2 3.43Å; I239-V251 HydrophobicContact CG1-CG2 3.71Å; V251-L261 HydrophobicContact CB-CD1 4.25Å; V251-L261 HydrophobicContact CG1-CD1 3.87Å; V251-L264 HydrophobicContact CG1-CD1 4.02Å
252	H	98.9	Very high	97.8	Very high	9 Å²	9	36.2 Å²	36.2	4%	0.042	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	115.1	-174.1	-179.8	-157.9	0	0	0	109.9	D111 D114 V115 Q219 N220 L221 N254	D111-H252 IonicContact OD2-NE2 3.24Å; D114-H252 IonicContact OD2-CD2 2.91Å; D114-H252 PolarHBondContact OD2-CD2 3.31Å; D114-H252 IonicContact OD2-NE2 2.79Å; D114-H252 PolarHBondContact OD2-NE2 2.85Å; V115-H252 HydrophobicContact CG2-CB 4.2Å; Q219-H252 PolarHBondContact O-N 2.74Å; N220-H252 WeakPolarHBondContact OD1-CB 3.19Å; N220-H252 PolarHBondContact OD1-ND1 2.75Å; L221-H252 WeakPolarHBondContact CG-O 3.37Å; L221-H252 PolarHBondContact N-O 3.49Å; H252-N254 VanDerWaalsContact CE1-CB 3.5Å; H252-N254 WeakPolarHBondContact CE1-CB 3.34Å; H252-N254 PolarHBondContact O-N 3.19Å; H252-N254 PolarHBondContact O-OD1 2.89Å
253	G	98.3	Very high	97.8	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	20%	0.196	C	C	.	.			trans	-81.6	51.6	177.6	0	0	0	0	0	112.7	D114 T257 K258	D114-G253 PolarHBondContact O-N 3.17Å; D114-G253 VanDerWaalsContact OD2-C 3.29Å; D114-G253 VanDerWaalsContact OD2-O 3.09Å; G253-T257 WeakPolarHBondContact CA-OG1 3.38Å; G253-T257 PolarHBondContact O-OG1 2.8Å; G253-K258 VanDerWaalsContact O-CD 3.26Å; G253-K258 WeakPolarHBondContact O-CD 3.32Å; G253-K258 VanDerWaalsContact O-CE 3.32Å; G253-K258 WeakPolarHBondContact O-CE 3.39Å; G253-K258 PolarHBondContact O-NZ 3.38Å
254	N	97.4	Very high	97.9	Very high	10 Å²	10	32 Å²	32	5%	0.053	18%	0.175	C	C	.	.			trans	-63.7	150.5	-174.7	67	-50	0	0	0	112.9	L221 N222 H252 T257	L221-N254 PolarHBondContact N-OD1 3.32Å; L221-N254 VanDerWaalsContact N-OD1 3.1Å; N222-N254 WeakPolarHBondContact CB-ND2 3.3Å; N222-N254 WeakPolarHBondContact CB-OD1 3.49Å; N222-N254 PolarHBondContact N-OD1 2.86Å; H252-N254 VanDerWaalsContact CE1-CB 3.5Å; H252-N254 WeakPolarHBondContact CE1-CB 3.34Å; H252-N254 PolarHBondContact O-N 3.19Å; H252-N254 PolarHBondContact O-OD1 2.89Å; N254-T257 PolarHBondContact N-OG1 2.73Å; N254-T257 PolarHBondContact O-N 3Å; N254-T257 PolarHBondContact O-OG1 3.02Å
255	G	94.4	Very high	97.9	Very high	47 Å²	47	30 Å²	30	49%	0.485	17%	0.17	S	C	.	.	G	3₁₀ helix	trans	56.7	-131.8	179.9	0	0	0	0	0	112.7	T257 K258	G255-T257 PolarHBondContact O-N 2.73Å; G255-T257 VanDerWaalsContact O-N 3.09Å; G255-K258 VanDerWaalsContact O-CE 3.29Å; G255-K258 WeakPolarHBondContact O-CE 3.3Å
256	P	95.3	Very high	97.9	Very high	106 Å²	106	25.6 Å²	25.6	69%	0.688	15%	0.147	S	C	*	.	G	3₁₀ helix	trans	-80.7	19.6	-173.1	35.5	-37.4	0	0	0	114.2
257	T	97	Very high	97.9	Very high	4 Å²	4	24.9 Å²	24.9	3%	0.025	14%	0.142	C	C	.	.	G	3₁₀ helix	trans	-108	16	-172.5	63.5	0	0	0	0	114.5	L221 N222 L225 G253 N254 G255 L259 Q260 L261	L221-T257 HydrophobicContact CB-CG2 4.08Å; L221-T257 WeakPolarHBondContact CB-OG1 3.42Å; N222-T257 HydrophobicContact CB-CG2 4.21Å; L225-T257 HydrophobicContact CD1-CG2 4.33Å; L225-T257 HydrophobicContact CD2-CG2 4Å; L225-T257 HydrophobicContact CG-CG2 4.33Å; G253-T257 WeakPolarHBondContact CA-OG1 3.38Å; G253-T257 PolarHBondContact O-OG1 2.8Å; N254-T257 PolarHBondContact N-OG1 2.73Å; N254-T257 PolarHBondContact O-N 3Å; N254-T257 PolarHBondContact O-OG1 3.02Å; G255-T257 PolarHBondContact O-N 2.73Å; G255-T257 VanDerWaalsContact O-N 3.09Å; T257-L259 PolarHBondContact O-N 2.83Å; T257-Q260 PolarHBondContact O-N 3.26Å; T257-L261 PolarHBondContact O-N 3.08Å
258	K	96.7	Very high	97.9	Very high	90 Å²	90	22.8 Å²	22.8	39%	0.391	13%	0.131	S	C	.	.	H	α-helix	trans	-56.1	-39.4	178.7	-50.5	-67.1	169.7	-179.6	0	111.9	D114 G253 G255 L261 N262	D114-K258 HydrophobicContact CB-CD 3.62Å; D114-K258 IonicContact OD1-NZ 3.6Å; D114-K258 IonicContact OD2-NZ 3.33Å; D114-K258 PolarHBondContact OD2-NZ 3.32Å; G253-K258 VanDerWaalsContact O-CD 3.26Å; G253-K258 WeakPolarHBondContact O-CD 3.32Å; G253-K258 VanDerWaalsContact O-CE 3.32Å; G253-K258 WeakPolarHBondContact O-CE 3.39Å; G253-K258 PolarHBondContact O-NZ 3.38Å; G255-K258 VanDerWaalsContact O-CE 3.29Å; G255-K258 WeakPolarHBondContact O-CE 3.3Å; K258-L261 WeakPolarHBondContact O-CB 3.28Å; K258-L261 PolarHBondContact O-N 3.19Å; K258-N262 VanDerWaalsContact O-CG 3.28Å; K258-N262 PolarHBondContact O-N 3.49Å; K258-N262 PolarHBondContact O-OD1 3.24Å
259	L	96.8	Very high	97.8	Very high	47 Å²	47	22.9 Å²	22.9	25%	0.246	13%	0.132	C	C	.	.	H	α-helix	trans	-70.6	-39.8	179.8	-69.9	-177.6	0	0	0	112.9	T257 L261 N262 Y263 L431 P458	T257-L259 PolarHBondContact O-N 2.83Å; L259-L261 VanDerWaalsContact C-N 3.27Å; L259-L261 PolarHBondContact O-N 3.07Å; L259-N262 WeakPolarHBondContact O-CB 3.43Å; L259-N262 PolarHBondContact O-N 3.43Å; L259-N262 VanDerWaalsContact O-N 3.09Å; L259-Y263 PolarHBondContact O-N 3.02Å; L259-L431 HydrophobicContact CD1-CD1 3.6Å; L259-L431 HydrophobicContact CD1-CG 4.12Å; L259-P458 HydrophobicContact CD1-CB 4.09Å; L259-P458 HydrophobicContact CD2-CB 4.07Å
260	Q	97.8	Very high	97.7	Very high	69 Å²	69	24.2 Å²	24.2	32%	0.322	14%	0.139	S	C	.	.	H	α-helix	trans	-64.6	-36.5	173.4	-72.7	75.4	18.4	0	0	110.9	L221 L225 T257 N262 Y263 L264	L221-Q260 HydrophobicContact CD1-CB 4.33Å; L225-Q260 HydrophobicContact CD1-CG 3.92Å; L225-Q260 HydrophobicContact CD2-CB 3.81Å; L225-Q260 HydrophobicContact CD2-CG 3.74Å; L225-Q260 HydrophobicContact CG-CG 4.46Å; T257-Q260 PolarHBondContact O-N 3.26Å; Q260-N262 VanDerWaalsContact C-N 3.34Å; Q260-Y263 WeakPolarHBondContact O-CB 3.17Å; Q260-Y263 PolarHBondContact O-N 2.96Å; Q260-L264 WeakPolarHBondContact O-CG 3.1Å; Q260-L264 PolarHBondContact O-N 2.84Å
261	L	98.6	Very high	97.6	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-65.3	-36.7	170.9	-173.8	75	0	0	0	112.4	D114 I116 L221 V251 T257 K258 L259 Y263 L264 G265	D114-L261 HydrophobicContact CB-CD2 3.85Å; D114-L261 WeakPolarHBondContact O-CD2 3.4Å; I116-L261 HydrophobicContact CD1-CD1 4.03Å; I116-L261 HydrophobicContact CG1-CD1 3.96Å; L221-L261 HydrophobicContact CD1-CB 4.07Å; L221-L261 HydrophobicContact CD1-CD1 4.33Å; V251-L261 HydrophobicContact CB-CD1 4.25Å; V251-L261 HydrophobicContact CG1-CD1 3.87Å; T257-L261 PolarHBondContact O-N 3.08Å; K258-L261 WeakPolarHBondContact O-CB 3.28Å; K258-L261 PolarHBondContact O-N 3.19Å; L259-L261 VanDerWaalsContact C-N 3.27Å; L259-L261 PolarHBondContact O-N 3.07Å; L261-Y263 VanDerWaalsContact C-N 3.33Å; L261-Y263 PolarHBondContact O-N 3.01Å; L261-L264 PolarHBondContact O-N 2.91Å; L261-G265 PolarHBondContact O-N 3.2Å
262	N	98.3	Very high	97.6	Very high	19 Å²	19	25.8 Å²	25.8	10%	0.102	15%	0.146	C	C	.	.	H	α-helix	trans	-59.1	-45.4	173.8	-68.8	-8	0	0	0	111.2	R53 K258 L259 Q260 G265 N266 N456	R53-N262 PolarHBondContact NH1-OD1 3.32Å; K258-N262 VanDerWaalsContact O-CG 3.28Å; K258-N262 PolarHBondContact O-N 3.49Å; K258-N262 PolarHBondContact O-OD1 3.24Å; L259-N262 WeakPolarHBondContact O-CB 3.43Å; L259-N262 PolarHBondContact O-N 3.43Å; L259-N262 VanDerWaalsContact O-N 3.09Å; Q260-N262 VanDerWaalsContact C-N 3.34Å; N262-G265 PolarHBondContact O-N 2.93Å; N262-N266 PolarHBondContact O-N 3.11Å; N262-N266 PolarHBondContact O-ND2 2.75Å; N262-N456 VanDerWaalsContact CG-ND2 3.34Å
263	Y	98.5	Very high	97.5	Very high	41 Å²	41	25.7 Å²	25.7	16%	0.161	15%	0.147	C	C	.	.	H	α-helix	trans	-56.8	-52.8	172.3	164.8	-109.1	0	0	0	111.9	L230 L259 Q260 L261 G265 N266 Y267 E441 D442	L230-Y263 HydrophobicContact CD1-CE1 4.08Å; L230-Y263 HydrophobicContact CD1-CE2 4.49Å; L230-Y263 WeakPolarHBondContact CD1-OH 3.01Å; L230-Y263 HydrophobicContact CG-CE1 4.5Å; L259-Y263 PolarHBondContact O-N 3.02Å; Q260-Y263 WeakPolarHBondContact O-CB 3.17Å; Q260-Y263 PolarHBondContact O-N 2.96Å; L261-Y263 VanDerWaalsContact C-N 3.33Å; L261-Y263 PolarHBondContact O-N 3.01Å; Y263-G265 VanDerWaalsContact C-N 3.27Å; Y263-G265 PolarHBondContact O-N 2.94Å; Y263-N266 WeakPolarHBondContact O-CB 3.02Å; Y263-N266 PolarHBondContact O-N 3.44Å; Y263-N266 VanDerWaalsContact O-N 3.17Å; Y263-Y267 HydrophobicContact CD2-CE2 4.19Å; Y263-Y267 AromaticContact CE2-CE2 3.78Å; Y263-Y267 HydrophobicContact CE2-CE2 3.78Å; Y263-Y267 WeakPolarHBondContact O-CD2 3.45Å; Y263-E441 PolarHBondContact OH-OE2 2.84Å; Y263-D442 HydrophobicContact CE2-CB 4.31Å; Y263-D442 WeakPolarHBondContact CE2-OD2 3.44Å
264	L	98.6	Very high	97.4	Very high	9 Å²	9	29 Å²	29	5%	0.047	17%	0.168	C	C	.	.	H	α-helix	trans	-61.7	-37.5	179.7	-64.7	174.9	0	0	0	112.1	I116 L221 V228 L230 I239 V251 Q260 L261 N266 Y267 V268	I116-L264 HydrophobicContact CD1-CB 4.39Å; L221-L264 HydrophobicContact CD1-CD1 3.94Å; L221-L264 HydrophobicContact CD2-CD1 4.06Å; V228-L264 HydrophobicContact CG1-CD1 4.19Å; L230-L264 HydrophobicContact CD2-CD2 3.64Å; L230-L264 HydrophobicContact CG-CD2 4.01Å; I239-L264 HydrophobicContact CG2-CD1 4.17Å; I239-L264 HydrophobicContact CG2-CD2 3.91Å; V251-L264 HydrophobicContact CG1-CD1 4.02Å; Q260-L264 WeakPolarHBondContact O-CG 3.1Å; Q260-L264 PolarHBondContact O-N 2.84Å; L261-L264 PolarHBondContact O-N 2.91Å; L264-N266 PolarHBondContact O-N 2.83Å; L264-Y267 PolarHBondContact O-N 3.2Å; L264-V268 WeakPolarHBondContact O-CB 3.3Å; L264-V268 PolarHBondContact O-N 3.1Å
265	G	98.3	Very high	97.3	Very high	10 Å²	10	33.7 Å²	33.7	10%	0.103	19%	0.189	C	C	.	.	H	α-helix	trans	-67.8	-18.7	179.2	0	0	0	0	0	114.4	L261 N262 Y263 Y267	L261-G265 PolarHBondContact O-N 3.2Å; N262-G265 PolarHBondContact O-N 2.93Å; Y263-G265 VanDerWaalsContact C-N 3.27Å; Y263-G265 PolarHBondContact O-N 2.94Å; G265-Y267 PolarHBondContact O-N 3.18Å
266	N	98.3	Very high	97.2	Very high	11 Å²	11	33.8 Å²	33.8	6%	0.059	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-19.1	169.7	-68.6	-33.1	0	0	0	112.1	N262 Y263 L264 G271 W272 W455 N456	N262-N266 PolarHBondContact O-N 3.11Å; N262-N266 PolarHBondContact O-ND2 2.75Å; Y263-N266 WeakPolarHBondContact O-CB 3.02Å; Y263-N266 PolarHBondContact O-N 3.44Å; Y263-N266 VanDerWaalsContact O-N 3.17Å; L264-N266 PolarHBondContact O-N 2.83Å; N266-G271 CarbonylContact O-C 3.51Å; N266-G271 VanDerWaalsContact O-CA 3.3Å; N266-G271 WeakPolarHBondContact O-CA 3.23Å; N266-W272 PolarHBondContact O-N 2.87Å; N266-W455 HydrophobicContact CB-CE3 3.93Å; N266-W455 HydrophobicContact CB-CZ3 4.26Å; N266-N456 PolarHBondContact ND2-O 2.88Å; N266-N456 WeakPolarHBondContact OD1-CB 3.5Å; N266-N456 PolarHBondContact OD1-N 3.1Å
267	Y	98.5	Very high	97.2	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117	-49	-176.4	-61.8	-80.9	0	0	0	112.5	L230 F232 Y263 L264 G265 P269 N270 G271 W272 D442 R451 W455	L230-Y267 HydrophobicContact CD1-CD1 4.5Å; L230-Y267 HydrophobicContact CD1-CD2 3.48Å; L230-Y267 VanDerWaalsContact CD1-CD2 3.48Å; L230-Y267 HydrophobicContact CD1-CE2 3.87Å; L230-Y267 HydrophobicContact CD1-CG 3.84Å; L230-Y267 HydrophobicContact CD2-CD2 4.43Å; L230-Y267 HydrophobicContact CD2-CG 4.45Å; F232-Y267 AromaticContact CE1-CD1 3.73Å; F232-Y267 HydrophobicContact CE1-CD1 3.73Å; F232-Y267 HydrophobicContact CE1-CE1 4.1Å; F232-Y267 AromaticContact CZ-CD1 3.92Å; F232-Y267 HydrophobicContact CZ-CD1 3.92Å; F232-Y267 HydrophobicContact CZ-CE1 4.06Å; F232-Y267 HydrophobicContact CZ-CG 4.49Å; Y263-Y267 HydrophobicContact CD2-CE2 4.19Å; Y263-Y267 AromaticContact CE2-CE2 3.78Å; Y263-Y267 HydrophobicContact CE2-CE2 3.78Å; Y263-Y267 WeakPolarHBondContact O-CD2 3.45Å; L264-Y267 PolarHBondContact O-N 3.2Å; G265-Y267 PolarHBondContact O-N 3.18Å; Y267-P269 CarbonylContact O-C 3.56Å; Y267-P269 VanDerWaalsContact O-C 3.31Å; Y267-N270 PolarHBondContact O-N 3.42Å; Y267-G271 PolarHBondContact O-N 2.9Å; Y267-W272 HydrophobicContact CD1-CB 4.05Å; Y267-W272 AromaticContact CD1-CE3 3.89Å; Y267-W272 HydrophobicContact CD1-CE3 3.89Å; Y267-W272 HydrophobicContact CE1-CB 4.28Å; Y267-W272 HydrophobicContact CE1-CD2 4.31Å; Y267-W272 AromaticContact CE1-CE3 3.77Å; Y267-W272 HydrophobicContact CE1-CE3 3.77Å; Y267-D442 WeakPolarHBondContact CE2-OD2 3.43Å; Y267-D442 WeakPolarHBondContact OH-CB 3.3Å; Y267-D442 PolarHBondContact OH-OD2 2.85Å; Y267-R451 PolarHBondContact OH-NH1 3.2Å; Y267-W455 HydrophobicContact CE1-CH2 4.29Å; Y267-W455 AromaticContact CE1-CZ3 3.89Å; Y267-W455 HydrophobicContact CE1-CZ3 3.89Å; Y267-W455 HydrophobicContact CE2-CZ3 4.32Å; Y267-W455 AromaticContact CZ-CZ3 3.67Å
268	V	98.4	Very high	97	Very high	4 Å²	4	30.8 Å²	30.8	2%	0.024	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	132.4	-168.7	179.2	0	0	0	0	111.2	I116 A118 L230 V237 I239 L264	I116-V268 HydrophobicContact CD1-CB 3.83Å; I116-V268 HydrophobicContact CD1-CG1 3.97Å; I116-V268 HydrophobicContact CG1-CG1 4.49Å; A118-V268 HydrophobicContact CB-CG1 3.56Å; L230-V268 HydrophobicContact CD2-CG2 3.78Å; V237-V268 HydrophobicContact CB-CG2 4.26Å; V237-V268 HydrophobicContact CG1-CG2 4.09Å; I239-V268 HydrophobicContact CG2-CG2 4.17Å; L264-V268 WeakPolarHBondContact O-CB 3.3Å; L264-V268 PolarHBondContact O-N 3.1Å
269	P	97.9	Very high	96.6	Very high	3 Å²	3	27.8 Å²	27.8	2%	0.019	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	cis	-86.2	-22.1	-6	33	-33.4	0	0	0	113.6	F60 F61 R236 V237 Y267	F60-P269 HydrophobicContact CB-CG 4.24Å; F60-P269 HydrophobicContact CD1-CB 3.86Å; F60-P269 HydrophobicContact CD1-CG 3.7Å; F60-P269 HydrophobicContact CE1-CB 4.03Å; F60-P269 HydrophobicContact CE1-CG 4.33Å; F60-P269 HydrophobicContact CG-CG 4.07Å; F61-P269 HydrophobicContact CE2-CB 3.53Å; F61-P269 HydrophobicContact CE2-CG 3.82Å; F61-P269 HydrophobicContact CZ-CB 3.71Å; F61-P269 HydrophobicContact CZ-CG 4.42Å; R236-P269 CarbonylContact C-O 3.15Å; R236-P269 WeakPolarHBondContact CA-O 3.35Å; R236-P269 WeakPolarHBondContact CB-O 3.48Å; V237-P269 PolarHBondContact N-O 2.91Å; V237-P269 WeakPolarHBondContact O-CA 3.21Å; Y267-P269 CarbonylContact O-C 3.56Å; Y267-P269 VanDerWaalsContact O-C 3.31Å
270	N	97.1	Very high	96.2	Very high	28 Å²	28	27.3 Å²	27.3	15%	0.15	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-145.4	26.7	-174.1	70.8	-41.1	0	0	0	112.4	F60 Y267 G279	F60-N270 HydrophobicContact CD2-CB 3.88Å; F60-N270 VanDerWaalsContact CD2-CG 3.48Å; F60-N270 WeakPolarHBondContact CD2-ND2 3.39Å; F60-N270 HydrophobicContact CE2-CB 3.6Å; F60-N270 HydrophobicContact CG-CB 4.47Å; F60-N270 HydrophobicContact CZ-CB 3.98Å; Y267-N270 PolarHBondContact O-N 3.42Å; N270-G279 WeakPolarHBondContact O-CA 3.33Å
271	G	96.4	Very high	95.5	Very high	4 Å²	4	24 Å²	24	4%	0.041	15%	0.152	C	C	.	.	S	Bend	trans	-62.3	-56.9	179.4	0	0	0	0	0	111.4	N266 Y267 C278 G279	N266-G271 CarbonylContact O-C 3.51Å; N266-G271 VanDerWaalsContact O-CA 3.3Å; N266-G271 WeakPolarHBondContact O-CA 3.23Å; Y267-G271 PolarHBondContact O-N 2.9Å; G271-C278 CarbonylContact O-C 3.6Å; G271-C278 WeakPolarHBondContact O-CA 3.24Å; G271-G279 PolarHBondContact O-N 3.45Å
272	W	98.1	Very high	94.5	Very high	30 Å²	30	29.5 Å²	29.5	11%	0.114	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	135.4	168.9	-177	95.1	0	0	0	109.5	F232 V237 N266 Y267 P274 G277 R451 V452 W455	F232-W272 HydrophobicContact CD1-CZ3 4.33Å; F232-W272 HydrophobicContact CE1-CE3 4.05Å; F232-W272 AromaticContact CE1-CZ3 3.87Å; F232-W272 HydrophobicContact CE1-CZ3 3.87Å; V237-W272 VanDerWaalsContact CG2-O 3.28Å; V237-W272 WeakPolarHBondContact CG2-O 3.39Å; N266-W272 PolarHBondContact O-N 2.87Å; Y267-W272 HydrophobicContact CD1-CB 4.05Å; Y267-W272 AromaticContact CD1-CE3 3.89Å; Y267-W272 HydrophobicContact CD1-CE3 3.89Å; Y267-W272 HydrophobicContact CE1-CB 4.28Å; Y267-W272 HydrophobicContact CE1-CD2 4.31Å; Y267-W272 AromaticContact CE1-CE3 3.77Å; Y267-W272 HydrophobicContact CE1-CE3 3.77Å; W272-P274 HydrophobicContact CZ3-CG 4.21Å; W272-G277 CarbonylContact C-O 3.58Å; W272-G277 VanDerWaalsContact CA-O 3.32Å; W272-G277 WeakPolarHBondContact CA-O 3.49Å; W272-R451 HydrophobicContact CD2-CB 4.38Å; W272-R451 HydrophobicContact CH2-CB 4.38Å; W272-R451 HydrophobicContact CH2-CG 3.67Å; W272-R451 HydrophobicContact CZ2-CB 3.79Å; W272-R451 HydrophobicContact CZ2-CG 3.56Å; W272-R451 HydrophobicContact CZ3-CG 4.19Å; W272-V452 PolarHBondContact NE1-O 3.08Å; W272-W455 HydrophobicContact CB-CH2 3.96Å; W272-W455 HydrophobicContact CB-CZ3 4.2Å; W272-W455 AromaticContact CD1-CH2 3.71Å; W272-W455 HydrophobicContact CD2-CH2 4.26Å; W272-W455 AromaticContact CG-CH2 3.7Å; W272-W455 HydrophobicContact CG-CH2 3.7Å; W272-W455 HydrophobicContact CG-CZ3 4.41Å
273	T	97.4	Very high	93.4	Very high	8 Å²	8	34.2 Å²	34.2	5%	0.049	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	151.4	-178.8	63.3	0	0	0	0	111.3	N235 V237 E275 G276 G277	N235-T273 VanDerWaalsContact C-CG2 3.48Å; V237-T273 HydrophobicContact CG2-CG2 4.47Å; T273-E275 PolarHBondContact O-N 3Å; T273-G276 VanDerWaalsContact OG1-CA 3.28Å; T273-G276 WeakPolarHBondContact OG1-CA 3.25Å; T273-G276 PolarHBondContact OG1-N 3.08Å; T273-G276 VanDerWaalsContact OG1-N 3.14Å; T273-G277 PolarHBondContact N-O 3.03Å; T273-G277 WeakPolarHBondContact O-CA 3.35Å; T273-G277 PolarHBondContact O-N 3.37Å
274	P	95.7	Very high	92.3	Very high	69 Å²	69	37.5 Å²	37.5	45%	0.448	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-41.2	-177.7	-26.2	35.5	0	0	0	114.9	F232 D233 W272	F232-P274 HydrophobicContact CB-CG 4.34Å; F232-P274 HydrophobicContact CD1-CG 3.99Å; D233-P274 VanDerWaalsContact O-CD 3.31Å; D233-P274 WeakPolarHBondContact O-CD 3.32Å; W272-P274 HydrophobicContact CZ3-CG 4.21Å
275	E	94.8	Very high	91.5	Very high	108 Å²	108	41.4 Å²	41.4	51%	0.505	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-32.3	179.9	-67.7	-176.5	-178.9	0	0	112.6	R234 N235 T273	R234-E275 HydrophobicContact CB-CG 4.22Å; R234-E275 VanDerWaalsContact CD-OE1 3.22Å; R234-E275 WeakPolarHBondContact CD-OE1 3.32Å; R234-E275 VanDerWaalsContact CG-OE1 3.29Å; R234-E275 WeakPolarHBondContact CG-OE1 3.26Å; R234-E275 IonicContact CZ-OE1 3.81Å; R234-E275 IonicContact NE-OE1 2.75Å; R234-E275 IonicContact NH1-OE1 3.78Å; R234-E275 PolarHBondContact NH1-OE1 3.17Å; R234-E275 WeakPolarHBondContact O-CB 3.29Å; R234-E275 PolarHBondContact O-N 3.14Å; R234-E275 VanDerWaalsContact O-N 3.14Å; N235-E275 PolarHBondContact ND2-OE2 3.39Å; T273-E275 PolarHBondContact O-N 3Å
276	G	92.9	Very high	90.7	Very high	49 Å²	49	45.2 Å²	45.2	51%	0.505	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.2	-9	-174.4	0	0	0	0	0	115.5	T273	T273-G276 VanDerWaalsContact OG1-CA 3.28Å; T273-G276 WeakPolarHBondContact OG1-CA 3.25Å; T273-G276 PolarHBondContact OG1-N 3.08Å; T273-G276 VanDerWaalsContact OG1-N 3.14Å
277	G	95.4	Very high	89.7	Confident	24 Å²	24	50.5 Å²	50.5	25%	0.247	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	61.1	-145.3	-172.5	0	0	0	0	0	111.9	W272 T273	W272-G277 CarbonylContact C-O 3.58Å; W272-G277 VanDerWaalsContact CA-O 3.32Å; W272-G277 WeakPolarHBondContact CA-O 3.49Å; T273-G277 PolarHBondContact N-O 3.03Å; T273-G277 WeakPolarHBondContact O-CA 3.35Å; T273-G277 PolarHBondContact O-N 3.37Å
278	C	91.9	Very high	88.6	Confident	23 Å²	23	51.7 Å²	51.7	16%	0.155	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	119.5	-179.9	-179.6	0	0	0	0	112.5	G271 C281	G271-C278 CarbonylContact O-C 3.6Å; G271-C278 WeakPolarHBondContact O-CA 3.24Å; C278-C281 HydrophobicContact CB-CB 3.81Å; C278-C281 WeakPolarHBondContact CB-SG 3.43Å; C278-C281 WeakPolarHBondContact SG-CB 3.43Å; C278-C281 PolarHBondContact SG-N 3.19Å; C278-C281 CovalentContact SG-SG 2.03Å; C278-C281 PolarHBondContact SG-SG 2.79Å
279	G	89.3	Confident	86.7	Confident	28 Å²	28	54.3 Å²	54.3	29%	0.289	30%	0.299	S	S	.	.	S	Bend	trans	-80.6	-12.7	-176	0	0	0	0	0	115.7	N270 G271 R283	N270-G279 WeakPolarHBondContact O-CA 3.33Å; G271-G279 PolarHBondContact O-N 3.45Å; G279-R283 PolarHBondContact O-NE 3.01Å
280	F	87.2	Confident	84.5	Confident	36 Å²	36	58.6 Å²	58.6	16%	0.158	34%	0.343	C	S	.	.	S	Bend	trans	-124	-7.7	-177.8	63.3	-94.3	0	0	0	115.2	N282 R283 R410 V454	F280-N282 VanDerWaalsContact C-N 3.25Å; F280-N282 PolarHBondContact O-N 2.81Å; F280-R283 PolarHBondContact O-N 2.8Å; F280-R410 PolarHBondContact O-NH2 2.79Å; F280-V454 HydrophobicContact CE2-CB 4.06Å; F280-V454 HydrophobicContact CE2-CG1 4.35Å; F280-V454 WeakPolarHBondContact CZ-O 3.28Å
281	C	84	Confident	82.6	Confident	1 Å²	1	61.2 Å²	61.2	1%	0.007	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-37	-178.7	-67.5	0	0	0	0	112.4	C278 R285 G453 V454 Q508	C278-C281 HydrophobicContact CB-CB 3.81Å; C278-C281 WeakPolarHBondContact CB-SG 3.43Å; C278-C281 WeakPolarHBondContact SG-CB 3.43Å; C278-C281 PolarHBondContact SG-N 3.19Å; C278-C281 CovalentContact SG-SG 2.03Å; C278-C281 PolarHBondContact SG-SG 2.79Å; C281-R285 WeakPolarHBondContact O-CG 3.38Å; C281-G453 VanDerWaalsContact SG-CA 3.59Å; C281-V454 HydrophobicContact CB-CG2 4.39Å; C281-V454 PolarHBondContact SG-N 3.3Å; C281-Q508 VanDerWaalsContact CB-OE1 3.23Å
282	N	77.6	Confident	81.3	Confident	114 Å²	114	67.4 Å²	67.4	61%	0.61	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.3	-3.5	175.9	-67.6	-44.5	0	0	0	114.2	F280 R285	F280-N282 VanDerWaalsContact C-N 3.25Å; F280-N282 PolarHBondContact O-N 2.81Å; N282-R285 PolarHBondContact OD1-NH1 2.59Å
283	R	75.7	Confident	80.5	Confident	118 Å²	118	70.2 Å²	70.2	45%	0.445	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	142	178.1	-66.5	-172.1	-177.3	-157.9	-2.9	109.9	G279 F280 R285	G279-R283 PolarHBondContact O-NE 3.01Å; F280-R283 PolarHBondContact O-N 2.8Å; R283-R285 PolarHBondContact O-N 3.39Å; R283-R285 VanDerWaalsContact O-N 3.09Å
284	D	74.8	Confident	80.2	Confident	111 Å²	111	70.5 Å²	70.5	59%	0.594	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.5	25.1	176.4	-49.2	-43.1	0	0	0	114.1	R286 N409	D284-R286 PolarHBondContact O-N 3.37Å; D284-N409 VanDerWaalsContact O-CB 3.28Å; D284-N409 WeakPolarHBondContact O-CB 3.42Å; D284-N409 PolarHBondContact O-ND2 3.41Å
285	R	82.3	Confident	80.2	Confident	91 Å²	91	67.4 Å²	67.4	34%	0.343	41%	0.409	S	S	.	.	P	Polyproline II helix	trans	-61.8	130.1	174.5	-78.3	-175.8	66.9	171.8	3.7	109.6	C281 N282 R283 T287 E407	C281-R285 WeakPolarHBondContact O-CG 3.38Å; N282-R285 PolarHBondContact OD1-NH1 2.59Å; R283-R285 PolarHBondContact O-N 3.39Å; R283-R285 VanDerWaalsContact O-N 3.09Å; R285-T287 PolarHBondContact O-N 3.33Å; R285-E407 CarbonylContact C-O 3.52Å; R285-E407 WeakPolarHBondContact CA-O 3.4Å; R285-E407 WeakPolarHBondContact CB-O 3.5Å; R285-E407 IonicContact CZ-OE2 3.83Å; R285-E407 IonicContact NH2-OE2 3.9Å; R285-E407 PolarHBondContact NH2-OE2 3.41Å
286	R	81	Confident	80.3	Confident	90 Å²	90	66 Å²	66	34%	0.34	40%	0.399	S	S	.	.	P	Polyproline II helix	trans	-71.8	116.5	172.5	-177.4	173.8	-176.5	168.9	-2	107.3	D284 L288 E385 E407 N409	D284-R286 PolarHBondContact O-N 3.37Å; R286-L288 PolarHBondContact O-N 3.32Å; R286-E385 IonicContact CZ-OE2 3.43Å; R286-E385 IonicContact NH1-OE2 3.43Å; R286-E385 IonicContact NH2-OE2 2.76Å; R286-E385 PolarHBondContact NH2-OE2 2.87Å; R286-E407 PolarHBondContact N-O 2.95Å; R286-E407 WeakPolarHBondContact O-CG 3.34Å; R286-N409 HydrophobicContact CB-CB 4.11Å
287	T	78.2	Confident	80.5	Confident	121 Å²	121	63.8 Å²	63.8	74%	0.742	38%	0.376	S	S	*	.	P	Polyproline II helix	trans	-73.7	117.8	170	-47	0	0	0	0	108.3	R285 P289	R285-T287 PolarHBondContact O-N 3.33Å; T287-P289 VanDerWaalsContact O-CD 3.27Å; T287-P289 WeakPolarHBondContact O-CD 3.41Å
288	L	74.8	Confident	80.7	Confident	26 Å²	26	63.1 Å²	63.1	14%	0.136	37%	0.366	C	S	.	.			trans	-77.4	107.9	164.9	-64.9	177.3	0	0	0	106.8	R286 G290 P294 P295 R403 I406 E407	R286-L288 PolarHBondContact O-N 3.32Å; L288-G290 PolarHBondContact O-N 2.71Å; L288-P294 HydrophobicContact CD2-CB 4.38Å; L288-P295 HydrophobicContact CD2-CG 4.21Å; L288-R403 HydrophobicContact CD1-CB 4.19Å; L288-R403 HydrophobicContact CD1-CG 4.37Å; L288-I406 HydrophobicContact CD2-CG2 4.03Å; L288-E407 HydrophobicContact CD1-CG 3.79Å; L288-E407 HydrophobicContact CG-CG 3.86Å
289	P	58.3	Low	81	Confident	59 Å²	59	62.1 Å²	62.1	38%	0.383	36%	0.359	S	S	.	.			trans	-66.1	129.4	-171.2	-13.6	27.3	0	0	0	109.9	T287 G291 Q292	T287-P289 VanDerWaalsContact O-CD 3.27Å; T287-P289 WeakPolarHBondContact O-CD 3.41Å; P289-G291 PolarHBondContact O-N 3.15Å; P289-Q292 HydrophobicContact CB-CB 3.98Å; P289-Q292 HydrophobicContact CB-CG 4.2Å; P289-Q292 HydrophobicContact CG-CB 3.97Å; P289-Q292 HydrophobicContact CG-CG 4.33Å; P289-Q292 PolarHBondContact O-N 3.43Å
290	G	51.1	Low	81.5	Confident	92 Å²	92	60.8 Å²	60.8	95%	0.948	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	102.2	166.1	0	0	0	0	0	109.1	L288	L288-G290 PolarHBondContact O-N 2.71Å
291	G	57.5	Low	82	Confident	84 Å²	84	59 Å²	59	87%	0.866	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	113.2	-2.8	-179.9	0	0	0	0	0	116.3	P289	P289-G291 PolarHBondContact O-N 3.15Å
292	Q	68.8	Low	82.7	Confident	134 Å²	134	59.1 Å²	59.1	63%	0.626	34%	0.338	S	S	*	.	S	Bend	trans	-108.7	148.2	164.5	-70.5	-170.5	-6.6	0	0	110.3	P289	P289-Q292 HydrophobicContact CB-CB 3.98Å; P289-Q292 HydrophobicContact CB-CG 4.2Å; P289-Q292 HydrophobicContact CG-CB 3.97Å; P289-Q292 HydrophobicContact CG-CG 4.33Å; P289-Q292 PolarHBondContact O-N 3.43Å
293	P	81.6	Confident	83.7	Confident	89 Å²	89	53.7 Å²	53.7	58%	0.578	31%	0.309	S	S	*	.	P	Polyproline II helix	trans	-68.2	129.9	-177.7	30.2	-35.6	0	0	0	109.6	R326	P293-R326 PolarHBondContact O-NH2 3.39Å
294	P	91.8	Very high	84.8	Confident	14 Å²	14	49.5 Å²	49.5	9%	0.091	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-67.4	165.5	-178.4	32.1	-37.1	0	0	0	110.8	L288 Y322 P323 R326	L288-P294 HydrophobicContact CD2-CB 4.38Å; P294-Y322 HydrophobicContact CB-CE2 4.11Å; P294-Y322 HydrophobicContact CG-CE1 4.2Å; P294-Y322 HydrophobicContact CG-CE2 4.35Å; P294-P323 HydrophobicContact CG-CG 3.57Å; P294-R326 PolarHBondContact O-NE 3.14Å; P294-R326 PolarHBondContact O-NH2 3.11Å
295	P	94.6	Very high	85.9	Confident	4 Å²	4	48.2 Å²	48.2	3%	0.026	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-51.9	151.3	-176.5	-30.5	38.3	0	0	0	114.3	L288 Y322 E385 F386 I406	L288-P295 HydrophobicContact CD2-CG 4.21Å; P295-Y322 WeakPolarHBondContact CD-OH 3.47Å; P295-Y322 WeakPolarHBondContact O-CE1 3.44Å; P295-Y322 PolarHBondContact O-OH 2.89Å; P295-E385 VanDerWaalsContact CA-OE1 3.3Å; P295-E385 WeakPolarHBondContact CA-OE1 3.42Å; P295-E385 HydrophobicContact CB-CB 3.99Å; P295-E385 HydrophobicContact CB-CG 4.45Å; P295-F386 HydrophobicContact CB-CD2 3.67Å; P295-F386 HydrophobicContact CB-CE2 3.79Å; P295-F386 HydrophobicContact CG-CD2 4.24Å; P295-F386 HydrophobicContact CG-CE2 3.86Å; P295-I406 HydrophobicContact CG-CG2 4.18Å
296	R	96.7	Very high	86.7	Confident	78 Å²	78	45.6 Å²	45.6	29%	0.294	28%	0.28	S	S	.	.	P	Polyproline II helix	trans	-74.6	136.3	170.7	-63.5	-174.8	75	134.8	7.9	110.5	R326 E383 E385 F386	R296-R326 WeakPolarHBondContact CA-O 3.38Å; R296-E383 VanDerWaalsContact CB-O 3.32Å; R296-E383 WeakPolarHBondContact CB-O 3.35Å; R296-E385 PolarHBondContact N-OE1 3.37Å; R296-E385 PolarHBondContact O-N 3.4Å; R296-F386 PolarHBondContact O-N 3.37Å
297	V	98.3	Very high	87.5	Confident	3 Å²	3	41.5 Å²	41.5	2%	0.018	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	136.5	-175.5	-177.5	0	0	0	0	110.3	Y322 R326 V327 T328 F386 F388 L402 I406	V297-Y322 HydrophobicContact CG2-CE1 3.73Å; V297-R326 PolarHBondContact N-O 3.45Å; V297-V327 HydrophobicContact CB-CG2 4.44Å; V297-V327 WeakPolarHBondContact O-CA 3.35Å; V297-T328 PolarHBondContact O-N 2.87Å; V297-F386 CarbonylContact C-O 3.57Å; V297-F386 VanDerWaalsContact CA-O 3.32Å; V297-F386 WeakPolarHBondContact CA-O 3.44Å; V297-F386 HydrophobicContact CG2-CB 4.31Å; V297-F388 HydrophobicContact CG1-CB 3.9Å; V297-L402 HydrophobicContact CB-CD2 4.45Å; V297-L402 HydrophobicContact CG1-CD1 4.16Å; V297-L402 HydrophobicContact CG1-CD2 4.11Å; V297-L402 HydrophobicContact CG2-CD1 4.44Å; V297-L402 HydrophobicContact CG2-CD2 4.22Å; V297-I406 HydrophobicContact CG2-CD1 3.89Å
298	F	98.8	Very high	88.5	Confident	10 Å²	10	35.7 Å²	35.7	4%	0.044	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	105.1	166.3	-165.4	-81.2	0	0	0	108.5	A300 T328 F330 M377 C378 C384 F386 Y387 F388	F298-A300 HydrophobicContact CD1-CB 4.41Å; F298-A300 HydrophobicContact CE1-CB 4.35Å; F298-T328 CarbonylContact C-O 3.17Å; F298-T328 HydrophobicContact CD2-CG2 3.7Å; F298-T328 HydrophobicContact CE2-CG2 3.63Å; F298-F330 HydrophobicContact CD1-CB 4.47Å; F298-F330 HydrophobicContact CE1-CB 3.44Å; F298-F330 VanDerWaalsContact CE1-CB 3.44Å; F298-F330 HydrophobicContact CE1-CG 4.14Å; F298-F330 HydrophobicContact CZ-CB 3.61Å; F298-F330 HydrophobicContact CZ-CD2 4.43Å; F298-F330 HydrophobicContact CZ-CG 4.27Å; F298-M377 HydrophobicContact CE1-CB 4.44Å; F298-M377 HydrophobicContact CE2-CB 4.02Å; F298-M377 HydrophobicContact CE2-CE 4.16Å; F298-M377 HydrophobicContact CZ-CB 3.73Å; F298-M377 HydrophobicContact CZ-CE 3.97Å; F298-M377 HydrophobicContact CZ-SD 4.22Å; F298-C378 HydrophobicContact CB-CB 3.95Å; F298-C378 HydrophobicContact CD1-CB 4.4Å; F298-C378 HydrophobicContact CG-CB 4.07Å; F298-C384 WeakPolarHBondContact CB-SG 3.25Å; F298-F386 PolarHBondContact N-O 2.89Å; F298-Y387 AromaticContact CD1-CD2 3.95Å; F298-Y387 HydrophobicContact CD1-CD2 3.95Å; F298-Y387 HydrophobicContact CD1-CE2 4.07Å; F298-F388 PolarHBondContact O-N 3.15Å
299	L	98.9	Very high	89.6	Confident	1 Å²	1	34.7 Å²	34.7	1%	0.005	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	112.5	177.3	170.9	58.7	0	0	0	109	V301 L317 L320 V327 T328 L329 F330 F353 F388 L390	L299-V301 HydrophobicContact CD1-CG2 4.3Å; L299-V301 HydrophobicContact CG-CG2 4.25Å; L299-L317 HydrophobicContact CD2-CD2 4.42Å; L299-L320 HydrophobicContact CD2-CD1 4.37Å; L299-V327 HydrophobicContact CB-CG1 3.64Å; L299-V327 HydrophobicContact CD2-CG1 4.27Å; L299-T328 PolarHBondContact N-O 3.23Å; L299-L329 HydrophobicContact CD2-CD1 4.01Å; L299-L329 HydrophobicContact CG-CD1 3.95Å; L299-L329 CarbonylContact O-C 3.53Å; L299-L329 WeakPolarHBondContact O-CA 3.09Å; L299-F330 PolarHBondContact O-N 2.96Å; L299-F353 HydrophobicContact CD2-CZ 4.43Å; L299-F388 CarbonylContact C-O 3.52Å; L299-F388 WeakPolarHBondContact CA-O 3.21Å; L299-F388 HydrophobicContact CD1-CB 4.39Å; L299-F388 HydrophobicContact CD1-CD1 3.61Å; L299-F388 HydrophobicContact CD1-CE1 4.12Å; L299-F388 HydrophobicContact CD1-CG 4.14Å; L299-L390 HydrophobicContact CD1-CB 4.12Å
300	A	98.9	Very high	91.5	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	117.9	176	0	0	0	0	0	110.2	F298 F302 F330 A374 Y387 F388 S389 L390	F298-A300 HydrophobicContact CD1-CB 4.41Å; F298-A300 HydrophobicContact CE1-CB 4.35Å; A300-F302 HydrophobicContact CB-CE2 3.65Å; A300-F302 HydrophobicContact CB-CZ 3.78Å; A300-F330 CarbonylContact C-O 3.49Å; A300-F330 WeakPolarHBondContact CA-O 3.4Å; A300-F330 HydrophobicContact CB-CB 4.48Å; A300-F330 HydrophobicContact CB-CD1 4.16Å; A300-A374 HydrophobicContact CB-CB 3.84Å; A300-Y387 HydrophobicContact CB-CE2 3.54Å; A300-Y387 WeakPolarHBondContact CB-OH 3.3Å; A300-F388 PolarHBondContact N-O 3.34Å; A300-S389 CarbonylContact O-C 3.56Å; A300-S389 WeakPolarHBondContact O-CA 3.46Å; A300-L390 PolarHBondContact O-N 3.09Å
301	V	98.9	Very high	93.8	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	133.5	178.2	172.6	0	0	0	0	109.9	L299 V303 F313 L317 L329 F330 L331 H332 L390	L299-V301 HydrophobicContact CD1-CG2 4.3Å; L299-V301 HydrophobicContact CG-CG2 4.25Å; V301-V303 HydrophobicContact CG1-CG2 4.43Å; V301-F313 HydrophobicContact CG1-CE1 3.57Å; V301-F313 HydrophobicContact CG1-CZ 3.94Å; V301-F313 HydrophobicContact CG2-CE1 4.36Å; V301-F313 HydrophobicContact CG2-CZ 4.37Å; V301-L317 HydrophobicContact CG2-CD1 4.08Å; V301-L317 HydrophobicContact CG2-CD2 4.31Å; V301-L329 HydrophobicContact CG2-CD1 3.86Å; V301-F330 PolarHBondContact N-O 3.14Å; V301-L331 HydrophobicContact CB-CB 4.45Å; V301-L331 HydrophobicContact CB-CG 4.1Å; V301-L331 HydrophobicContact CG1-CD1 4.2Å; V301-L331 HydrophobicContact CG1-CG 3.98Å; V301-L331 WeakPolarHBondContact O-CA 3.44Å; V301-H332 PolarHBondContact O-N 2.81Å; V301-L390 VanDerWaalsContact CA-O 3.25Å; V301-L390 WeakPolarHBondContact CA-O 3.46Å
302	F	98.9	Very high	95.7	Very high	2 Å²	2	29.4 Å²	29.4	1%	0.009	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	119.5	-177.3	-62.3	-78.2	0	0	0	111.2	A300 E304 F330 H332 A370 R371 A374 Y387 S389 L390 A392	A300-F302 HydrophobicContact CB-CE2 3.65Å; A300-F302 HydrophobicContact CB-CZ 3.78Å; F302-E304 HydrophobicContact CB-CG 4.04Å; F302-E304 WeakPolarHBondContact CB-OE1 3.47Å; F302-E304 WeakPolarHBondContact CD1-OE1 3.49Å; F302-F330 HydrophobicContact CE1-CE1 4.21Å; F302-H332 HydrophobicContact CD1-CB 4.04Å; F302-H332 HydrophobicContact CE1-CB 4.42Å; F302-A370 HydrophobicContact CE1-CB 4.42Å; F302-R371 HydrophobicContact CD1-CG 3.83Å; F302-R371 HydrophobicContact CD2-CG 4.43Å; F302-R371 HydrophobicContact CE1-CB 4.16Å; F302-R371 HydrophobicContact CE1-CG 3.54Å; F302-R371 HydrophobicContact CE2-CG 4.17Å; F302-R371 HydrophobicContact CG-CG 4.27Å; F302-R371 HydrophobicContact CZ-CB 4.18Å; F302-R371 HydrophobicContact CZ-CG 3.71Å; F302-A374 HydrophobicContact CE1-CB 4.14Å; F302-A374 HydrophobicContact CZ-CB 3.67Å; F302-Y387 WeakPolarHBondContact CE2-OH 3.49Å; F302-Y387 WeakPolarHBondContact CZ-OH 3.49Å; F302-S389 VanDerWaalsContact CE2-OG 3.27Å; F302-S389 WeakPolarHBondContact CE2-OG 3.3Å; F302-L390 PolarHBondContact N-O 3.2Å; F302-A392 PolarHBondContact O-N 3.48Å
303	V	98.7	Very high	97.1	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	81.2	175.5	-170.7	0	0	0	0	107.7	V301 L310 L331 H332 N333 N334 H338 A392	V301-V303 HydrophobicContact CG1-CG2 4.43Å; V303-L310 HydrophobicContact CG1-CD1 4.47Å; V303-L310 HydrophobicContact CG1-CD2 4.09Å; V303-L310 HydrophobicContact CG2-CD1 4Å; V303-L310 HydrophobicContact CG2-CD2 4.39Å; V303-L331 HydrophobicContact CG2-CD2 4.41Å; V303-H332 PolarHBondContact N-O 2.85Å; V303-N333 HydrophobicContact CB-CB 4.42Å; V303-N334 PolarHBondContact O-N 3.12Å; V303-H338 HydrophobicContact CG1-CB 4.29Å; V303-A392 HydrophobicContact CB-CB 4.42Å; V303-A392 HydrophobicContact CG1-CB 4.35Å; V303-A392 HydrophobicContact CG2-CB 4.08Å
304	E	98.1	Very high	97.9	Very high	31 Å²	31	19.3 Å²	19.3	15%	0.145	9%	0.093	C	C	.	.			trans	-96.5	-2.9	-169.8	-52.2	-52.2	139	0	0	114.3	F302 H332 P367	F302-E304 HydrophobicContact CB-CG 4.04Å; F302-E304 WeakPolarHBondContact CB-OE1 3.47Å; F302-E304 WeakPolarHBondContact CD1-OE1 3.49Å; E304-H332 IonicContact OE1-CE1 3.81Å; E304-H332 IonicContact OE1-CG 3.11Å; E304-H332 IonicContact OE1-ND1 2.72Å; E304-H332 PolarHBondContact OE1-ND1 3.03Å; E304-H332 IonicContact OE2-CE1 3.2Å; E304-H332 PolarHBondContact OE2-CE1 2.81Å; E304-H332 IonicContact OE2-ND1 2.8Å; E304-H332 PolarHBondContact OE2-ND1 3.11Å; E304-P367 HydrophobicContact CB-CB 4.49Å; E304-P367 HydrophobicContact CB-CG 4.3Å; E304-P367 HydrophobicContact CG-CB 4.17Å; E304-P367 HydrophobicContact CG-CG 4.45Å
305	Q	97.5	Very high	98.2	Very high	83 Å²	83	22.5 Å²	22.5	39%	0.388	11%	0.106	S	C	.	.	S	Bend	trans	-158.7	157.6	-179.6	66.9	-161.4	-3.6	0	0	109.8	T307 E335 T517	Q305-T307 PolarHBondContact O-N 3.41Å; Q305-T307 VanDerWaalsContact O-N 3.09Å; Q305-T307 PolarHBondContact O-OG1 3.33Å; Q305-E335 VanDerWaalsContact C-CG 3.43Å; Q305-E335 WeakPolarHBondContact CA-OE1 3.38Å; Q305-T517 PolarHBondContact NE2-OG1 2.9Å
306	P	98.4	Very high	98.3	Very high	37 Å²	37	24 Å²	24	24%	0.24	11%	0.112	C	C	.	.			trans	-58	119.2	175.2	-25.3	36.6	0	0	0	110.5	E335 F337 Y520 T522	P306-E335 VanDerWaalsContact CD-CD 3.43Å; P306-E335 WeakPolarHBondContact CD-OE2 3.36Å; P306-E335 HydrophobicContact CG-CG 4.26Å; P306-E335 WeakPolarHBondContact CG-OE2 3.44Å; P306-F337 HydrophobicContact CB-CD1 4.43Å; P306-Y520 HydrophobicContact CB-CD1 3.78Å; P306-Y520 HydrophobicContact CB-CE1 4.35Å; P306-T522 HydrophobicContact CB-CG2 3.76Å; P306-T522 HydrophobicContact CG-CG2 4.38Å
307	T	98.6	Very high	98.4	Very high	3 Å²	3	20.5 Å²	20.5	2%	0.018	10%	0.098	C	C	.	.			trans	-124.1	124.7	-171.2	-60.6	0	0	0	0	110.1	Q305 H338 A392 D393 L515 T517	Q305-T307 PolarHBondContact O-N 3.41Å; Q305-T307 VanDerWaalsContact O-N 3.09Å; Q305-T307 PolarHBondContact O-OG1 3.33Å; T307-H338 PolarHBondContact N-NE2 2.94Å; T307-H338 PolarHBondContact O-CE1 3.21Å; T307-H338 PolarHBondContact O-NE2 3.37Å; T307-A392 HydrophobicContact CG2-CB 4Å; T307-D393 HydrophobicContact CG2-CB 4.25Å; T307-L515 HydrophobicContact CG2-CD1 4.01Å; T307-T517 HydrophobicContact CG2-CG2 3.99Å
308	P	98.6	Very high	98.4	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	149.4	175.1	-26.5	34.6	0	0	0	112.8	L310 L515 Y520 D528 Q531	P308-L310 PolarHBondContact O-N 3.27Å; P308-L310 VanDerWaalsContact O-N 3.15Å; P308-L515 VanDerWaalsContact O-CD1 3.24Å; P308-L515 WeakPolarHBondContact O-CD1 3.37Å; P308-Y520 HydrophobicContact CB-CD2 4.41Å; P308-Y520 HydrophobicContact CB-CE2 4.23Å; P308-Y520 HydrophobicContact CG-CD1 4.23Å; P308-Y520 HydrophobicContact CG-CD2 3.65Å; P308-Y520 HydrophobicContact CG-CE2 3.96Å; P308-Y520 HydrophobicContact CG-CG 3.8Å; P308-D528 VanDerWaalsContact CA-OD1 3.28Å; P308-D528 WeakPolarHBondContact CA-OD1 3.22Å; P308-Q531 HydrophobicContact CB-CG 4.05Å; P308-Q531 HydrophobicContact CG-CG 4.21Å
309	F	98.6	Very high	98.3	Very high	5 Å²	5	26.6 Å²	26.6	2%	0.022	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.3	26.2	171.6	-44.1	-67.6	0	0	0	115.1	P311 R312 F313 L515 D528 Q531 N535 D538 W539 Q542 Y543	F309-P311 VanDerWaalsContact C-CD 3.45Å; F309-P311 VanDerWaalsContact C-N 3.33Å; F309-R312 HydrophobicContact CB-CB 4.26Å; F309-R312 WeakPolarHBondContact O-CA 2.95Å; F309-R312 WeakPolarHBondContact O-CB 3.37Å; F309-R312 PolarHBondContact O-N 3.24Å; F309-F313 PolarHBondContact O-N 3.46Å; F309-L515 HydrophobicContact CD2-CD1 4.43Å; F309-L515 HydrophobicContact CD2-CD2 4.2Å; F309-D528 VanDerWaalsContact CA-OD2 3.27Å; F309-D528 WeakPolarHBondContact CA-OD2 3.28Å; F309-D528 HydrophobicContact CD1-CB 3.97Å; F309-D528 VanDerWaalsContact CD1-CG 3.49Å; F309-D528 WeakPolarHBondContact CD1-OD2 3.35Å; F309-D528 HydrophobicContact CE1-CB 3.77Å; F309-D528 VanDerWaalsContact N-CG 3.33Å; F309-D528 PolarHBondContact N-OD1 3.27Å; F309-D528 PolarHBondContact N-OD2 2.92Å; F309-Q531 HydrophobicContact CE1-CB 4.5Å; F309-Q531 HydrophobicContact CE2-CB 4Å; F309-Q531 HydrophobicContact CE2-CG 4.46Å; F309-Q531 HydrophobicContact CZ-CB 3.58Å; F309-Q531 HydrophobicContact CZ-CG 4.27Å; F309-N535 HydrophobicContact CE2-CB 3.68Å; F309-N535 HydrophobicContact CZ-CB 4.47Å; F309-D538 HydrophobicContact CD2-CB 3.67Å; F309-D538 HydrophobicContact CE2-CB 3.57Å; F309-D538 HydrophobicContact CG-CB 4.35Å; F309-D538 HydrophobicContact CZ-CB 4.15Å; F309-W539 HydrophobicContact CZ-CB 4.06Å; F309-Q542 VanDerWaalsContact CD1-OE1 3.27Å; F309-Q542 HydrophobicContact CE1-CB 4.43Å; F309-Y543 HydrophobicContact CE1-CE2 4.08Å
310	L	98.7	Very high	98.2	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-53.9	-41.8	176.7	-176.3	68.9	0	0	0	113.1	V303 P308 R312 F313 L314 H338 H341 I342 A392	V303-L310 HydrophobicContact CG1-CD1 4.47Å; V303-L310 HydrophobicContact CG1-CD2 4.09Å; V303-L310 HydrophobicContact CG2-CD1 4Å; V303-L310 HydrophobicContact CG2-CD2 4.39Å; P308-L310 PolarHBondContact O-N 3.27Å; P308-L310 VanDerWaalsContact O-N 3.15Å; L310-R312 PolarHBondContact O-N 3.17Å; L310-F313 HydrophobicContact CD1-CB 4.37Å; L310-F313 HydrophobicContact CD1-CD1 3.98Å; L310-F313 HydrophobicContact CD1-CG 4.44Å; L310-F313 WeakPolarHBondContact O-CA 3.32Å; L310-F313 WeakPolarHBondContact O-CB 3.37Å; L310-F313 PolarHBondContact O-N 2.85Å; L310-L314 HydrophobicContact CD1-CG 4.32Å; L310-L314 HydrophobicContact CD2-CD1 4.43Å; L310-L314 HydrophobicContact CG-CD1 4.08Å; L310-L314 HydrophobicContact CG-CG 4.2Å; L310-L314 WeakPolarHBondContact O-CG 3.43Å; L310-L314 PolarHBondContact O-N 3.11Å; L310-H338 HydrophobicContact CD2-CB 3.54Å; L310-H338 WeakPolarHBondContact CD2-ND1 3.22Å; L310-H341 HydrophobicContact CD2-CB 4.31Å; L310-I342 HydrophobicContact CD2-CG1 4.38Å; L310-A392 HydrophobicContact CD1-CB 4.01Å
311	P	98.4	Very high	98.1	Very high	47 Å²	47	30.5 Å²	30.5	31%	0.305	15%	0.151	S	C	.	.	H	α-helix	trans	-54.6	-41	175	-28.1	37	0	0	0	112.6	F309 L314 Q315 H341	F309-P311 VanDerWaalsContact C-CD 3.45Å; F309-P311 VanDerWaalsContact C-N 3.33Å; P311-L314 PolarHBondContact O-N 3.09Å; P311-Q315 VanDerWaalsContact O-CG 3.31Å; P311-Q315 WeakPolarHBondContact O-CG 3.39Å; P311-Q315 PolarHBondContact O-N 2.95Å; P311-H341 HydrophobicContact CG-CB 4.22Å; P311-H341 VanDerWaalsContact CG-CD2 3.5Å; P311-H341 WeakPolarHBondContact CG-CD2 3.21Å
312	R	97.8	Very high	98	Very high	76 Å²	76	31 Å²	31	29%	0.287	15%	0.154	S	C	.	.	H	α-helix	trans	-69.9	-34.2	178	-162.9	-179.5	171.5	83.1	9.6	111.9	F309 L310 R316 E541	F309-R312 HydrophobicContact CB-CB 4.26Å; F309-R312 WeakPolarHBondContact O-CA 2.95Å; F309-R312 WeakPolarHBondContact O-CB 3.37Å; F309-R312 PolarHBondContact O-N 3.24Å; L310-R312 PolarHBondContact O-N 3.17Å; R312-R316 WeakPolarHBondContact O-CB 3.29Å; R312-R316 PolarHBondContact O-N 3.31Å; R312-R316 VanDerWaalsContact O-N 3.16Å; R312-E541 IonicContact CZ-OE2 3.99Å; R312-E541 IonicContact NE-OE2 3.17Å; R312-E541 PolarHBondContact NE-OE2 3.28Å; R312-E541 PolarHBondContact NH1-O 3.19Å; R312-E541 IonicContact NH2-OE2 3.21Å; R312-E541 PolarHBondContact NH2-OE2 2.95Å
313	F	98.6	Very high	97.8	Very high	12 Å²	12	32.5 Å²	32.5	5%	0.053	16%	0.163	C	C	.	.	H	α-helix	trans	-62.7	-48.6	171.1	172.3	-84.9	0	0	0	111.3	V301 F309 L310 Q315 R316 L317 L390 D391	V301-F313 HydrophobicContact CG1-CE1 3.57Å; V301-F313 HydrophobicContact CG1-CZ 3.94Å; V301-F313 HydrophobicContact CG2-CE1 4.36Å; V301-F313 HydrophobicContact CG2-CZ 4.37Å; F309-F313 PolarHBondContact O-N 3.46Å; L310-F313 HydrophobicContact CD1-CB 4.37Å; L310-F313 HydrophobicContact CD1-CD1 3.98Å; L310-F313 HydrophobicContact CD1-CG 4.44Å; L310-F313 WeakPolarHBondContact O-CA 3.32Å; L310-F313 WeakPolarHBondContact O-CB 3.37Å; L310-F313 PolarHBondContact O-N 2.85Å; F313-Q315 PolarHBondContact O-N 3Å; F313-R316 WeakPolarHBondContact O-CA 3.44Å; F313-R316 VanDerWaalsContact O-CB 3.24Å; F313-R316 WeakPolarHBondContact O-CB 3.5Å; F313-R316 PolarHBondContact O-N 3.18Å; F313-L317 HydrophobicContact CE1-CD1 4.11Å; F313-L317 HydrophobicContact CE1-CD2 4.04Å; F313-L317 HydrophobicContact CE1-CG 4.23Å; F313-L317 HydrophobicContact CZ-CD2 4.09Å; F313-L317 PolarHBondContact O-N 2.97Å; F313-L390 HydrophobicContact CE2-CD2 3.96Å; F313-L390 HydrophobicContact CE2-CG 4.02Å; F313-L390 HydrophobicContact CZ-CD2 3.87Å; F313-L390 HydrophobicContact CZ-CG 3.97Å; F313-D391 WeakPolarHBondContact CE2-O 3.28Å
314	L	98.5	Very high	97.7	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-61.9	-42.8	-179.8	-64.4	170.7	0	0	0	111.7	L310 P311 R316 L317 L331 I342 S345 L349	L310-L314 HydrophobicContact CD1-CG 4.32Å; L310-L314 HydrophobicContact CD2-CD1 4.43Å; L310-L314 HydrophobicContact CG-CD1 4.08Å; L310-L314 HydrophobicContact CG-CG 4.2Å; L310-L314 WeakPolarHBondContact O-CG 3.43Å; L310-L314 PolarHBondContact O-N 3.11Å; P311-L314 PolarHBondContact O-N 3.09Å; L314-R316 PolarHBondContact O-N 3.47Å; L314-L317 HydrophobicContact CD2-CD1 4.24Å; L314-L317 WeakPolarHBondContact O-CB 3.35Å; L314-L317 PolarHBondContact O-N 3.42Å; L314-L331 HydrophobicContact CD2-CD1 3.76Å; L314-I342 HydrophobicContact CD1-CG1 4.18Å; L314-S345 WeakPolarHBondContact CD1-OG 3.47Å; L314-L349 HydrophobicContact CD2-CD1 4.33Å
315	Q	97.6	Very high	97.6	Very high	81 Å²	81	37.6 Å²	37.6	38%	0.379	19%	0.193	S	C	.	.	H	α-helix	trans	-60	-33.8	172.9	-71.4	-59	-47.5	0	0	112.5	P311 F313 L317 L318	P311-Q315 VanDerWaalsContact O-CG 3.31Å; P311-Q315 WeakPolarHBondContact O-CG 3.39Å; P311-Q315 PolarHBondContact O-N 2.95Å; F313-Q315 PolarHBondContact O-N 3Å; Q315-L317 VanDerWaalsContact C-N 3.29Å; Q315-L317 PolarHBondContact O-N 3.32Å; Q315-L318 WeakPolarHBondContact O-CB 3.44Å; Q315-L318 PolarHBondContact O-N 2.92Å
316	R	97.8	Very high	97.5	Very high	36 Å²	36	36.1 Å²	36.1	14%	0.136	18%	0.184	C	C	.	.	H	α-helix	trans	-70.4	-25.5	179.5	-156.6	178.2	-55.2	-100.7	1.6	113.1	R312 F313 L314 L318 L319 L320 L396	R312-R316 WeakPolarHBondContact O-CB 3.29Å; R312-R316 PolarHBondContact O-N 3.31Å; R312-R316 VanDerWaalsContact O-N 3.16Å; F313-R316 WeakPolarHBondContact O-CA 3.44Å; F313-R316 VanDerWaalsContact O-CB 3.24Å; F313-R316 WeakPolarHBondContact O-CB 3.5Å; F313-R316 PolarHBondContact O-N 3.18Å; L314-R316 PolarHBondContact O-N 3.47Å; R316-L318 PolarHBondContact O-N 2.96Å; R316-L319 PolarHBondContact O-N 2.82Å; R316-L320 PolarHBondContact O-N 3.39Å; R316-L396 WeakPolarHBondContact CD-O 3.31Å
317	L	98.1	Very high	97.5	Very high	3 Å²	3	34.5 Å²	34.5	2%	0.016	17%	0.174	C	C	.	.	H	α-helix	trans	-59.8	-36.2	174.1	-59.1	-179.4	0	0	0	111.3	L299 V301 F313 L314 Q315 L319 L320 L349 F353 L390	L299-L317 HydrophobicContact CD2-CD2 4.42Å; V301-L317 HydrophobicContact CG2-CD1 4.08Å; V301-L317 HydrophobicContact CG2-CD2 4.31Å; F313-L317 HydrophobicContact CE1-CD1 4.11Å; F313-L317 HydrophobicContact CE1-CD2 4.04Å; F313-L317 HydrophobicContact CE1-CG 4.23Å; F313-L317 HydrophobicContact CZ-CD2 4.09Å; F313-L317 PolarHBondContact O-N 2.97Å; L314-L317 HydrophobicContact CD2-CD1 4.24Å; L314-L317 WeakPolarHBondContact O-CB 3.35Å; L314-L317 PolarHBondContact O-N 3.42Å; Q315-L317 VanDerWaalsContact C-N 3.29Å; Q315-L317 PolarHBondContact O-N 3.32Å; L317-L319 PolarHBondContact O-N 2.99Å; L317-L320 HydrophobicContact CD2-CD1 4.41Å; L317-L320 PolarHBondContact O-N 3.1Å; L317-L349 HydrophobicContact CB-CD2 4.1Å; L317-L349 HydrophobicContact CD1-CD2 4.17Å; L317-F353 HydrophobicContact CB-CE2 4.32Å; L317-F353 HydrophobicContact CB-CZ 4.28Å; L317-L390 HydrophobicContact CD2-CD2 4.1Å
318	L	97.9	Very high	97.5	Very high	35 Å²	35	35.4 Å²	35.4	18%	0.183	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-16.5	177	-53.6	174	0	0	0	113.3	Q315 R316 Q348 L349 H352	Q315-L318 WeakPolarHBondContact O-CB 3.44Å; Q315-L318 PolarHBondContact O-N 2.92Å; R316-L318 PolarHBondContact O-N 2.96Å; L318-Q348 HydrophobicContact CD1-CB 4.02Å; L318-L349 HydrophobicContact CD2-CD2 3.83Å; L318-L349 HydrophobicContact CG-CD2 4.34Å; L318-H352 HydrophobicContact CD2-CB 3.59Å; L318-H352 PolarHBondContact O-CE1 3.34Å
319	L	97.8	Very high	97.5	Very high	106 Å²	106	35.4 Å²	35.4	56%	0.555	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.3	-5.9	-175.5	-58.9	178.7	0	0	0	113	R316 L317 D321 L399	R316-L319 PolarHBondContact O-N 2.82Å; L317-L319 PolarHBondContact O-N 2.99Å; L319-D321 PolarHBondContact O-N 2.99Å; L319-L399 HydrophobicContact CB-CD1 4.41Å; L319-L399 HydrophobicContact CB-CD2 4.11Å; L319-L399 WeakPolarHBondContact O-CD1 3.28Å
320	L	97	Very high	97.5	Very high	20 Å²	20	35.2 Å²	35.2	11%	0.105	18%	0.178	C	C	.	.			trans	-59	128.6	177.6	-67.7	178.7	0	0	0	109.5	L299 R316 L317 Y322 L396	L299-L320 HydrophobicContact CD2-CD1 4.37Å; R316-L320 PolarHBondContact O-N 3.39Å; L317-L320 HydrophobicContact CD2-CD1 4.41Å; L317-L320 PolarHBondContact O-N 3.1Å; L320-Y322 PolarHBondContact O-N 3.23Å; L320-L396 HydrophobicContact CD2-CD1 4.19Å
321	D	96.4	Very high	97.5	Very high	63 Å²	63	35.2 Å²	35.2	34%	0.337	18%	0.178	S	C	.	.	S	Bend	trans	-78.5	75.1	179.2	179.2	-0.9	0	0	0	109.2	L319 L399 Q400 R403	L319-D321 PolarHBondContact O-N 2.99Å; D321-L399 HydrophobicContact CB-CB 4.28Å; D321-L399 PolarHBondContact N-O 2.99Å; D321-Q400 HydrophobicContact CB-CG 4.23Å; D321-Q400 WeakPolarHBondContact OD2-CG 3.5Å; D321-Q400 PolarHBondContact OD2-NE2 2.87Å; D321-R403 WeakPolarHBondContact O-CD 3.33Å; D321-R403 WeakPolarHBondContact O-CG 3.44Å; D321-R403 PolarHBondContact O-NE 2.86Å; D321-R403 IonicContact OD1-CZ 2.68Å; D321-R403 IonicContact OD1-NE 3.08Å; D321-R403 PolarHBondContact OD1-NE 3.17Å; D321-R403 IonicContact OD1-NH2 2.86Å; D321-R403 PolarHBondContact OD1-NH2 3.2Å
322	Y	95.9	Very high	97.6	Very high	12 Å²	12	33 Å²	33	5%	0.047	16%	0.164	C	C	.	.	S	Bend	trans	-151.3	140.5	172.3	-156.1	-93.6	0	0	0	109.1	P294 P295 V297 L320 P324 R326 V327 L402 R403 I406	P294-Y322 HydrophobicContact CB-CE2 4.11Å; P294-Y322 HydrophobicContact CG-CE1 4.2Å; P294-Y322 HydrophobicContact CG-CE2 4.35Å; P295-Y322 WeakPolarHBondContact CD-OH 3.47Å; P295-Y322 WeakPolarHBondContact O-CE1 3.44Å; P295-Y322 PolarHBondContact O-OH 2.89Å; V297-Y322 HydrophobicContact CG2-CE1 3.73Å; L320-Y322 PolarHBondContact O-N 3.23Å; Y322-P324 WeakPolarHBondContact O-CD 3.38Å; Y322-P324 VanDerWaalsContact O-N 3.11Å; Y322-R326 HydrophobicContact CE1-CB 4.09Å; Y322-V327 HydrophobicContact CD1-CG2 3.52Å; Y322-V327 HydrophobicContact CE1-CG2 4.1Å; Y322-V327 HydrophobicContact CG-CG2 4.48Å; Y322-L402 HydrophobicContact CD1-CD2 4.04Å; Y322-L402 HydrophobicContact CD2-CB 4.42Å; Y322-L402 HydrophobicContact CD2-CD2 3.83Å; Y322-L402 HydrophobicContact CD2-CG 3.91Å; Y322-L402 HydrophobicContact CE1-CD2 4.45Å; Y322-L402 HydrophobicContact CE2-CD2 4.28Å; Y322-L402 HydrophobicContact CE2-CG 4.17Å; Y322-L402 HydrophobicContact CG-CD2 3.69Å; Y322-L402 HydrophobicContact CG-CG 4.29Å; Y322-R403 HydrophobicContact CD2-CG 3.74Å; Y322-R403 HydrophobicContact CE2-CG 4.21Å; Y322-I406 HydrophobicContact CE2-CD1 3.86Å
323	P	95.9	Very high	97.6	Very high	32 Å²	32	29.5 Å²	29.5	21%	0.208	15%	0.151	C	C	.	.			trans	-61	117.3	-178.1	-24.4	37	0	0	0	110.8	P294 D325 R326	P294-P323 HydrophobicContact CG-CG 3.57Å; P323-D325 VanDerWaalsContact C-N 3.26Å; P323-D325 VanDerWaalsContact CB-OD1 3.25Å; P323-D325 WeakPolarHBondContact CB-OD1 3.29Å; P323-D325 PolarHBondContact O-N 3.14Å; P323-R326 HydrophobicContact CB-CB 4.47Å; P323-R326 HydrophobicContact CB-CG 4Å; P323-R326 WeakPolarHBondContact O-CB 3.29Å; P323-R326 PolarHBondContact O-N 3.42Å
324	P	95.7	Very high	97.6	Very high	35 Å²	35	31.4 Å²	31.4	23%	0.227	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-75	-18.9	-168.8	32.7	-38.6	0	0	0	112.7	Y322 R326 V327 H352 F353 A354	Y322-P324 WeakPolarHBondContact O-CD 3.38Å; Y322-P324 VanDerWaalsContact O-N 3.11Å; P324-R326 PolarHBondContact O-N 2.93Å; P324-V327 PolarHBondContact O-N 3.4Å; P324-V327 VanDerWaalsContact O-N 3.1Å; P324-H352 VanDerWaalsContact CB-CD2 3.49Å; P324-H352 WeakPolarHBondContact CB-CD2 3.4Å; P324-H352 WeakPolarHBondContact CB-NE2 3.27Å; P324-H352 VanDerWaalsContact CB-O 3.28Å; P324-H352 WeakPolarHBondContact CB-O 3.42Å; P324-F353 HydrophobicContact CB-CD1 3.98Å; P324-F353 HydrophobicContact CB-CE1 4.24Å; P324-A354 PolarHBondContact O-N 3.35Å
325	D	95.6	Very high	97.5	Very high	103 Å²	103	33.3 Å²	33.3	55%	0.551	17%	0.171	S	C	*	.	G	3₁₀ helix	trans	-64.6	-15.4	167.7	65.9	-68.4	0	0	0	113.1	P323 A354	P323-D325 VanDerWaalsContact C-N 3.26Å; P323-D325 VanDerWaalsContact CB-OD1 3.25Å; P323-D325 WeakPolarHBondContact CB-OD1 3.29Å; P323-D325 PolarHBondContact O-N 3.14Å; D325-A354 WeakPolarHBondContact O-CB 3.5Å
326	R	96.3	Very high	97.5	Very high	52 Å²	52	34 Å²	34	20%	0.196	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-101.8	5.2	176.8	-54.3	-71.7	-85.7	174.1	-8.9	112.4	P293 P294 R296 V297 Y322 P323 P324	P293-R326 PolarHBondContact O-NH2 3.39Å; P294-R326 PolarHBondContact O-NE 3.14Å; P294-R326 PolarHBondContact O-NH2 3.11Å; R296-R326 WeakPolarHBondContact CA-O 3.38Å; V297-R326 PolarHBondContact N-O 3.45Å; Y322-R326 HydrophobicContact CE1-CB 4.09Å; P323-R326 HydrophobicContact CB-CB 4.47Å; P323-R326 HydrophobicContact CB-CG 4Å; P323-R326 WeakPolarHBondContact O-CB 3.29Å; P323-R326 PolarHBondContact O-N 3.42Å; P324-R326 PolarHBondContact O-N 2.93Å
327	V	98.2	Very high	97.5	Very high	4 Å²	4	35 Å²	35	2%	0.024	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	126.3	-178.1	-175.6	0	0	0	0	110.4	V297 L299 Y322 P324 F353 A354	V297-V327 HydrophobicContact CB-CG2 4.44Å; V297-V327 WeakPolarHBondContact O-CA 3.35Å; L299-V327 HydrophobicContact CB-CG1 3.64Å; L299-V327 HydrophobicContact CD2-CG1 4.27Å; Y322-V327 HydrophobicContact CD1-CG2 3.52Å; Y322-V327 HydrophobicContact CE1-CG2 4.1Å; Y322-V327 HydrophobicContact CG-CG2 4.48Å; P324-V327 PolarHBondContact O-N 3.4Å; P324-V327 VanDerWaalsContact O-N 3.1Å; V327-F353 HydrophobicContact CB-CD1 3.79Å; V327-F353 HydrophobicContact CB-CE1 4.02Å; V327-F353 HydrophobicContact CG1-CD1 3.9Å; V327-F353 HydrophobicContact CG1-CE1 3.89Å; V327-A354 PolarHBondContact O-N 3.27Å
328	T	98.6	Very high	97.5	Very high	22 Å²	22	34.9 Å²	34.9	14%	0.135	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	126.6	165.1	-63.8	0	0	0	0	108.1	V297 F298 L299 V355	V297-T328 PolarHBondContact O-N 2.87Å; F298-T328 CarbonylContact C-O 3.17Å; F298-T328 HydrophobicContact CD2-CG2 3.7Å; F298-T328 HydrophobicContact CE2-CG2 3.63Å; L299-T328 PolarHBondContact N-O 3.23Å; T328-V355 CarbonylContact C-O 3.48Å; T328-V355 WeakPolarHBondContact CA-O 3.32Å; T328-V355 HydrophobicContact CG2-CB 3.95Å; T328-V355 HydrophobicContact CG2-CG1 4.11Å
329	L	98.8	Very high	97.5	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	127.5	176.8	177.2	65.6	0	0	0	110.5	L299 V301 L349 F353 V355 V356 K357	L299-L329 HydrophobicContact CD2-CD1 4.01Å; L299-L329 HydrophobicContact CG-CD1 3.95Å; L299-L329 CarbonylContact O-C 3.53Å; L299-L329 WeakPolarHBondContact O-CA 3.09Å; V301-L329 HydrophobicContact CG2-CD1 3.86Å; L329-L349 HydrophobicContact CD2-CB 4.16Å; L329-L349 HydrophobicContact CD2-CD1 4.3Å; L329-L349 HydrophobicContact CD2-CD2 4.21Å; L329-L349 HydrophobicContact CD2-CG 4.46Å; L329-F353 HydrophobicContact CB-CB 4.39Å; L329-F353 HydrophobicContact CB-CD2 4.01Å; L329-F353 HydrophobicContact CB-CG 4.17Å; L329-F353 HydrophobicContact CD2-CD2 3.76Å; L329-F353 HydrophobicContact CD2-CE2 3.93Å; L329-F353 HydrophobicContact CG-CD2 4.46Å; L329-V355 PolarHBondContact N-O 2.82Å; L329-V356 HydrophobicContact CB-CG1 4.11Å; L329-V356 HydrophobicContact CD2-CG1 4.29Å; L329-V356 CarbonylContact O-C 3.54Å; L329-V356 VanDerWaalsContact O-CA 3.28Å; L329-V356 WeakPolarHBondContact O-CA 3.49Å; L329-K357 PolarHBondContact O-N 2.92Å
330	F	98.8	Very high	97.5	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	132	162.4	174.3	-86.6	0	0	0	107.9	F298 L299 A300 V301 F302 H332 K357 V359 M373 A374 M377	F298-F330 HydrophobicContact CD1-CB 4.47Å; F298-F330 HydrophobicContact CE1-CB 3.44Å; F298-F330 VanDerWaalsContact CE1-CB 3.44Å; F298-F330 HydrophobicContact CE1-CG 4.14Å; F298-F330 HydrophobicContact CZ-CB 3.61Å; F298-F330 HydrophobicContact CZ-CD2 4.43Å; F298-F330 HydrophobicContact CZ-CG 4.27Å; L299-F330 PolarHBondContact O-N 2.96Å; A300-F330 CarbonylContact C-O 3.49Å; A300-F330 WeakPolarHBondContact CA-O 3.4Å; A300-F330 HydrophobicContact CB-CB 4.48Å; A300-F330 HydrophobicContact CB-CD1 4.16Å; V301-F330 PolarHBondContact N-O 3.14Å; F302-F330 HydrophobicContact CE1-CE1 4.21Å; F330-H332 HydrophobicContact CE1-CB 3.77Å; F330-H332 HydrophobicContact CZ-CB 4.27Å; F330-K357 CarbonylContact C-O 3.6Å; F330-K357 WeakPolarHBondContact CA-O 3.47Å; F330-K357 HydrophobicContact CD2-CB 4.33Å; F330-K357 HydrophobicContact CD2-CD 4.05Å; F330-K357 HydrophobicContact CD2-CG 4.27Å; F330-K357 HydrophobicContact CE2-CD 4.23Å; F330-V359 HydrophobicContact CE2-CG2 3.56Å; F330-V359 HydrophobicContact CZ-CB 4.32Å; F330-V359 HydrophobicContact CZ-CG2 3.77Å; F330-M373 HydrophobicContact CE2-SD 4.36Å; F330-M373 HydrophobicContact CZ-SD 4.44Å; F330-A374 HydrophobicContact CD1-CB 3.61Å; F330-A374 HydrophobicContact CE1-CB 3.59Å; F330-A374 HydrophobicContact CG-CB 4.19Å; F330-A374 HydrophobicContact CZ-CB 4.15Å; F330-M377 HydrophobicContact CD2-SD 3.94Å; F330-M377 HydrophobicContact CE2-SD 4.06Å
331	L	98.8	Very high	97.6	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	118.8	176.3	-165.8	156.8	0	0	0	108.6	V301 V303 L314 N333 I342 W346 K357 L358 V359	V301-L331 HydrophobicContact CB-CB 4.45Å; V301-L331 HydrophobicContact CB-CG 4.1Å; V301-L331 HydrophobicContact CG1-CD1 4.2Å; V301-L331 HydrophobicContact CG1-CG 3.98Å; V301-L331 WeakPolarHBondContact O-CA 3.44Å; V303-L331 HydrophobicContact CG2-CD2 4.41Å; L314-L331 HydrophobicContact CD2-CD1 3.76Å; L331-N333 HydrophobicContact CD2-CB 4.09Å; L331-I342 HydrophobicContact CD2-CD1 3.76Å; L331-I342 HydrophobicContact CD2-CG1 4.38Å; L331-W346 HydrophobicContact CB-CZ3 4.35Å; L331-K357 PolarHBondContact N-O 3.02Å; L331-L358 HydrophobicContact CB-CD1 4.26Å; L331-L358 HydrophobicContact CD2-CD1 3.58Å; L331-L358 HydrophobicContact CG-CD1 4.45Å; L331-L358 CarbonylContact O-C 3.49Å; L331-L358 WeakPolarHBondContact O-CA 3.47Å; L331-V359 PolarHBondContact O-N 2.81Å
332	H	98.8	Very high	97.7	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.005	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	128.9	167.7	-180	-108.3	0	0	0	109.6	V301 F302 V303 E304 F330 V359 A370	V301-H332 PolarHBondContact O-N 2.81Å; F302-H332 HydrophobicContact CD1-CB 4.04Å; F302-H332 HydrophobicContact CE1-CB 4.42Å; V303-H332 PolarHBondContact N-O 2.85Å; E304-H332 IonicContact OE1-CE1 3.81Å; E304-H332 IonicContact OE1-CG 3.11Å; E304-H332 IonicContact OE1-ND1 2.72Å; E304-H332 PolarHBondContact OE1-ND1 3.03Å; E304-H332 IonicContact OE2-CE1 3.2Å; E304-H332 PolarHBondContact OE2-CE1 2.81Å; E304-H332 IonicContact OE2-ND1 2.8Å; E304-H332 PolarHBondContact OE2-ND1 3.11Å; F330-H332 HydrophobicContact CE1-CB 3.77Å; F330-H332 HydrophobicContact CZ-CB 4.27Å; H332-V359 WeakPolarHBondContact CA-O 3.27Å; H332-A370 HydrophobicContact CB-CB 4.18Å; H332-A370 VanDerWaalsContact CE1-CB 3.49Å; H332-A370 WeakPolarHBondContact CE1-CB 3.35Å; H332-A370 VanDerWaalsContact CG-CB 3.49Å; H332-A370 WeakPolarHBondContact ND1-CB 3.29Å
333	N	98.6	Very high	97.8	Very high	2 Å²	2	36.7 Å²	36.7	1%	0.011	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	119.5	172.7	174.4	47.9	0	0	0	109.8	V303 L331 E335 I342 V359 G360 P361	V303-N333 HydrophobicContact CB-CB 4.42Å; L331-N333 HydrophobicContact CD2-CB 4.09Å; N333-E335 PolarHBondContact ND2-O 2.84Å; N333-E335 PolarHBondContact OD1-N 2.03Å; N333-E335 VanDerWaalsContact OD1-N 3.08Å; N333-E335 PolarHBondContact OD1-O 3.05Å; N333-I342 HydrophobicContact CB-CD1 3.35Å; N333-V359 PolarHBondContact N-O 3.36Å; N333-G360 CarbonylContact O-C 3.52Å; N333-P361 WeakPolarHBondContact O-CD 3.49Å; N333-P361 WeakPolarHBondContact O-CG 3.2Å
334	N	97.9	Very high	97.9	Very high	53 Å²	53	41.2 Å²	41.2	28%	0.283	23%	0.227	S	C	.	.			trans	-93.3	-8.5	175.6	-166.5	59.9	0	0	0	112.5	V303 L365	V303-N334 PolarHBondContact O-N 3.12Å; N334-L365 PolarHBondContact OD1-O 3.44Å
335	E	97.6	Very high	98	Very high	40 Å²	40	39.8 Å²	39.8	19%	0.187	22%	0.218	C	C	.	.			trans	-109.1	115.6	-169.6	-61.9	-57.4	142.8	0	0	112.9	Q305 P306 N333 F337 H338 E339	Q305-E335 VanDerWaalsContact C-CG 3.43Å; Q305-E335 WeakPolarHBondContact CA-OE1 3.38Å; P306-E335 VanDerWaalsContact CD-CD 3.43Å; P306-E335 WeakPolarHBondContact CD-OE2 3.36Å; P306-E335 HydrophobicContact CG-CG 4.26Å; P306-E335 WeakPolarHBondContact CG-OE2 3.44Å; N333-E335 PolarHBondContact ND2-O 2.84Å; N333-E335 PolarHBondContact OD1-N 2.03Å; N333-E335 VanDerWaalsContact OD1-N 3.08Å; N333-E335 PolarHBondContact OD1-O 3.05Å; E335-F337 PolarHBondContact O-N 3.34Å; E335-H338 HydrophobicContact CB-CB 4.19Å; E335-H338 PolarHBondContact O-N 3.04Å; E335-E339 PolarHBondContact O-N 3.48Å
336	V	97.7	Very high	98.1	Very high	96 Å²	96	37.1 Å²	37.1	58%	0.582	20%	0.2	S	C	*	.	G	3₁₀ helix	trans	-58.2	-34.1	173.4	-179.8	0	0	0	0	111.1	H338 E339 P361	V336-H338 PolarHBondContact O-N 3.14Å; V336-H338 VanDerWaalsContact O-N 3.15Å; V336-E339 PolarHBondContact O-N 3.28Å; V336-P361 HydrophobicContact CG2-CB 4.07Å; V336-P361 HydrophobicContact CG2-CG 4.25Å
337	F	97.3	Very high	98.1	Very high	55 Å²	55	38.7 Å²	38.7	24%	0.241	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-54.7	-30.6	173	173.9	-102	0	0	0	113	P306 E335 H341 Y520 T522 P527	P306-F337 HydrophobicContact CB-CD1 4.43Å; E335-F337 PolarHBondContact O-N 3.34Å; F337-H341 AromaticContact CE1-CE1 3.8Å; F337-H341 AromaticContact CZ-CE1 3.81Å; F337-H341 PolarHBondContact O-CE1 3.18Å; F337-H341 PolarHBondContact O-ND1 3.21Å; F337-H341 VanDerWaalsContact O-ND1 3.17Å; F337-Y520 AromaticContact CE1-CE1 3.76Å; F337-Y520 HydrophobicContact CE1-CE1 3.76Å; F337-Y520 HydrophobicContact CZ-CE1 4.2Å; F337-T522 HydrophobicContact CD1-CG2 4.22Å; F337-T522 HydrophobicContact CD2-CG2 4.26Å; F337-T522 HydrophobicContact CE1-CG2 4.21Å; F337-T522 HydrophobicContact CE2-CG2 4.23Å; F337-T522 HydrophobicContact CG-CG2 4.26Å; F337-T522 HydrophobicContact CZ-CG2 4.22Å; F337-P527 HydrophobicContact CE2-CG 4.12Å; F337-P527 HydrophobicContact CZ-CG 3.94Å
338	H	98.3	Very high	98.1	Very high	2 Å²	2	42.9 Å²	42.9	1%	0.009	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-95.2	-5.2	-177.8	-74.6	-50.3	0	0	0	115.2	V303 T307 L310 E335 V336 H341 I342	V303-H338 HydrophobicContact CG1-CB 4.29Å; T307-H338 PolarHBondContact N-NE2 2.94Å; T307-H338 PolarHBondContact O-CE1 3.21Å; T307-H338 PolarHBondContact O-NE2 3.37Å; L310-H338 HydrophobicContact CD2-CB 3.54Å; L310-H338 WeakPolarHBondContact CD2-ND1 3.22Å; E335-H338 HydrophobicContact CB-CB 4.19Å; E335-H338 PolarHBondContact O-N 3.04Å; V336-H338 PolarHBondContact O-N 3.14Å; V336-H338 VanDerWaalsContact O-N 3.15Å; H338-H341 AromaticContact ND1-CE1 3.88Å; H338-H341 AromaticContact ND1-ND1 3.24Å; H338-H341 PolarHBondContact ND1-ND1 2.66Å; H338-H341 PolarHBondContact O-N 3.22Å; H338-I342 HydrophobicContact CB-CD1 4.45Å; H338-I342 WeakPolarHBondContact O-CG1 3.46Å; H338-I342 PolarHBondContact O-N 2.82Å
339	E	98.2	Very high	98.1	Very high	85 Å²	85	41.9 Å²	41.9	40%	0.397	23%	0.23	S	C	.	.	H	α-helix	trans	-55.4	-46.6	176.2	-72.5	179.2	-146.1	0	0	113.4	E335 V336 H341 I342 A343 P361	E335-E339 PolarHBondContact O-N 3.48Å; V336-E339 PolarHBondContact O-N 3.28Å; E339-H341 PolarHBondContact O-N 2.91Å; E339-I342 PolarHBondContact O-N 2.81Å; E339-A343 WeakPolarHBondContact O-CB 3.34Å; E339-A343 PolarHBondContact O-N 2.85Å; E339-P361 HydrophobicContact CG-CG 4.22Å
340	P	98.1	Very high	98	Very high	77 Å²	77	47.5 Å²	47.5	50%	0.5	26%	0.257	S	S	.	.	H	α-helix	trans	-62.9	-42.4	179.2	-21.9	34.5	0	0	0	112.3	I342 A343 D344	P340-I342 VanDerWaalsContact C-N 3.3Å; P340-I342 PolarHBondContact O-N 2.81Å; P340-A343 PolarHBondContact O-N 2.94Å; P340-D344 PolarHBondContact O-N 3.17Å
341	H	98	Very high	97.9	Very high	47 Å²	47	54.7 Å²	54.7	22%	0.218	30%	0.295	C	S	.	.	H	α-helix	trans	-60.9	-39.5	179.5	-56.1	112.7	0	0	0	112.2	L310 P311 F337 H338 E339 S345	L310-H341 HydrophobicContact CD2-CB 4.31Å; P311-H341 HydrophobicContact CG-CB 4.22Å; P311-H341 VanDerWaalsContact CG-CD2 3.5Å; P311-H341 WeakPolarHBondContact CG-CD2 3.21Å; F337-H341 AromaticContact CE1-CE1 3.8Å; F337-H341 AromaticContact CZ-CE1 3.81Å; F337-H341 PolarHBondContact O-CE1 3.18Å; F337-H341 PolarHBondContact O-ND1 3.21Å; F337-H341 VanDerWaalsContact O-ND1 3.17Å; H338-H341 AromaticContact ND1-CE1 3.88Å; H338-H341 AromaticContact ND1-ND1 3.24Å; H338-H341 PolarHBondContact ND1-ND1 2.66Å; H338-H341 PolarHBondContact O-N 3.22Å; E339-H341 PolarHBondContact O-N 2.91Å; H341-S345 PolarHBondContact O-N 3.19Å; H341-S345 PolarHBondContact O-OG 3.31Å
342	I	98.1	Very high	97.9	Very high	3 Å²	3	57.4 Å²	57.4	2%	0.015	31%	0.308	C	S	.	.	H	α-helix	trans	-72	-44.6	176.7	-66.1	164.7	0	0	0	110	L310 L314 L331 N333 H338 E339 P340 D344 S345 W346 L358	L310-I342 HydrophobicContact CD2-CG1 4.38Å; L314-I342 HydrophobicContact CD1-CG1 4.18Å; L331-I342 HydrophobicContact CD2-CD1 3.76Å; L331-I342 HydrophobicContact CD2-CG1 4.38Å; N333-I342 HydrophobicContact CB-CD1 3.35Å; H338-I342 HydrophobicContact CB-CD1 4.45Å; H338-I342 WeakPolarHBondContact O-CG1 3.46Å; H338-I342 PolarHBondContact O-N 2.82Å; E339-I342 PolarHBondContact O-N 2.81Å; P340-I342 VanDerWaalsContact C-N 3.3Å; P340-I342 PolarHBondContact O-N 2.81Å; I342-D344 VanDerWaalsContact C-N 3.26Å; I342-D344 PolarHBondContact O-N 3.5Å; I342-S345 PolarHBondContact O-N 3.32Å; I342-S345 VanDerWaalsContact O-N 3.09Å; I342-W346 HydrophobicContact CG2-CE3 4.18Å; I342-W346 WeakPolarHBondContact O-CB 3.36Å; I342-W346 PolarHBondContact O-N 2.77Å; I342-L358 HydrophobicContact CG2-CD1 3.97Å; I342-L358 HydrophobicContact CG2-CD2 4.02Å
343	A	98.1	Very high	97.8	Very high	61 Å²	61	58 Å²	58	50%	0.504	31%	0.31	S	S	.	.	H	α-helix	trans	-56.5	-40.7	178.8	0	0	0	0	0	112.2	E339 P340 S345 P347	E339-A343 WeakPolarHBondContact O-CB 3.34Å; E339-A343 PolarHBondContact O-N 2.85Å; P340-A343 PolarHBondContact O-N 2.94Å; A343-S345 PolarHBondContact O-N 3.48Å; A343-P347 WeakPolarHBondContact O-CD 3.22Å
344	D	97.9	Very high	97.3	Very high	127 Å²	127	60.3 Å²	60.3	68%	0.679	33%	0.329	S	S	*	.	H	α-helix	trans	-66.1	-36.6	177.5	-70.4	-18.8	0	0	0	112.7	P340 I342	P340-D344 PolarHBondContact O-N 3.17Å; I342-D344 VanDerWaalsContact C-N 3.26Å; I342-D344 PolarHBondContact O-N 3.5Å
345	S	97.6	Very high	97.2	Very high	6 Å²	6	61.6 Å²	61.6	4%	0.042	34%	0.339	C	S	.	.	H	α-helix	trans	-87.6	-21.8	-178	-57.5	0	0	0	0	113.4	L314 H341 I342 A343 Q348 L349	L314-S345 WeakPolarHBondContact CD1-OG 3.47Å; H341-S345 PolarHBondContact O-N 3.19Å; H341-S345 PolarHBondContact O-OG 3.31Å; I342-S345 PolarHBondContact O-N 3.32Å; I342-S345 VanDerWaalsContact O-N 3.09Å; A343-S345 PolarHBondContact O-N 3.48Å; S345-Q348 PolarHBondContact O-N 3.3Å; S345-Q348 VanDerWaalsContact O-N 3.16Å; S345-L349 WeakPolarHBondContact O-CG 3.45Å; S345-L349 PolarHBondContact O-N 3.49Å; S345-L349 VanDerWaalsContact O-N 3.12Å
346	W	97.7	Very high	97.1	Very high	46 Å²	46	61.2 Å²	61.2	17%	0.174	34%	0.339	C	S	.	.	H	α-helix	trans	-57.4	-42.9	-170.9	-164.8	-108.4	0	0	0	114.4	L331 I342 Q348 L349 Q350 V356 L358	L331-W346 HydrophobicContact CB-CZ3 4.35Å; I342-W346 HydrophobicContact CG2-CE3 4.18Å; I342-W346 WeakPolarHBondContact O-CB 3.36Å; I342-W346 PolarHBondContact O-N 2.77Å; W346-Q348 VanDerWaalsContact C-N 3.28Å; W346-Q348 PolarHBondContact O-N 3Å; W346-L349 HydrophobicContact CE3-CD1 4.26Å; W346-L349 PolarHBondContact O-N 3.03Å; W346-Q350 WeakPolarHBondContact O-CB 3.45Å; W346-Q350 PolarHBondContact O-N 3.35Å; W346-V356 HydrophobicContact CH2-CB 3.81Å; W346-V356 HydrophobicContact CH2-CG2 4.03Å; W346-V356 HydrophobicContact CZ2-CB 3.87Å; W346-V356 HydrophobicContact CZ2-CG2 3.53Å; W346-L358 HydrophobicContact CE3-CB 4.5Å; W346-L358 HydrophobicContact CH2-CB 3.53Å; W346-L358 HydrophobicContact CZ2-CB 3.72Å; W346-L358 HydrophobicContact CZ3-CB 3.94Å; W346-L358 HydrophobicContact CZ3-CD1 4.4Å
347	P	97.9	Very high	97.1	Very high	85 Å²	85	60.6 Å²	60.6	55%	0.552	33%	0.329	S	S	*	.	H	α-helix	trans	-59.6	-38.4	178.3	-24.8	35.3	0	0	0	113	A343 D351	A343-P347 WeakPolarHBondContact O-CD 3.22Å; P347-D351 PolarHBondContact O-N 2.88Å
348	Q	97.8	Very high	97.2	Very high	93 Å²	93	61.4 Å²	61.4	44%	0.435	34%	0.335	S	S	.	.	H	α-helix	trans	-71.5	-40.8	178.8	-63.5	176.7	-7.2	0	0	111.2	L318 S345 W346 Q350 D351 H352	L318-Q348 HydrophobicContact CD1-CB 4.02Å; S345-Q348 PolarHBondContact O-N 3.3Å; S345-Q348 VanDerWaalsContact O-N 3.16Å; W346-Q348 VanDerWaalsContact C-N 3.28Å; W346-Q348 PolarHBondContact O-N 3Å; Q348-Q350 VanDerWaalsContact C-N 3.35Å; Q348-D351 PolarHBondContact O-N 3.11Å; Q348-H352 VanDerWaalsContact O-CB 3.22Å; Q348-H352 WeakPolarHBondContact O-CB 3.31Å; Q348-H352 PolarHBondContact O-N 2.95Å
349	L	97.7	Very high	97.2	Very high	1 Å²	1	61.8 Å²	61.8	1%	0.005	34%	0.338	C	S	.	.	H	α-helix	trans	-64.5	-40.1	177	-65.4	169.2	0	0	0	111.6	L314 L317 L318 L329 S345 W346 H352 F353 V356	L314-L349 HydrophobicContact CD2-CD1 4.33Å; L317-L349 HydrophobicContact CB-CD2 4.1Å; L317-L349 HydrophobicContact CD1-CD2 4.17Å; L318-L349 HydrophobicContact CD2-CD2 3.83Å; L318-L349 HydrophobicContact CG-CD2 4.34Å; L329-L349 HydrophobicContact CD2-CB 4.16Å; L329-L349 HydrophobicContact CD2-CD1 4.3Å; L329-L349 HydrophobicContact CD2-CD2 4.21Å; L329-L349 HydrophobicContact CD2-CG 4.46Å; S345-L349 WeakPolarHBondContact O-CG 3.45Å; S345-L349 PolarHBondContact O-N 3.49Å; S345-L349 VanDerWaalsContact O-N 3.12Å; W346-L349 HydrophobicContact CE3-CD1 4.26Å; W346-L349 PolarHBondContact O-N 3.03Å; L349-H352 PolarHBondContact O-N 2.79Å; L349-F353 HydrophobicContact CD2-CD2 4.33Å; L349-F353 HydrophobicContact CD2-CE2 3.82Å; L349-F353 WeakPolarHBondContact O-CD2 3.46Å; L349-F353 PolarHBondContact O-N 3.31Å; L349-F353 VanDerWaalsContact O-N 3.08Å; L349-V356 WeakPolarHBondContact O-CG1 3.49Å
350	Q	96.9	Very high	97.2	Very high	118 Å²	118	58 Å²	58	55%	0.551	32%	0.321	S	S	*	.	H	α-helix	trans	-67.9	-35.1	179.2	-174.2	173.1	-0.1	0	0	113.1	W346 Q348 V356	W346-Q350 WeakPolarHBondContact O-CB 3.45Å; W346-Q350 PolarHBondContact O-N 3.35Å; Q348-Q350 VanDerWaalsContact C-N 3.35Å; Q350-V356 HydrophobicContact CB-CG2 3.92Å; Q350-V356 HydrophobicContact CG-CG2 3.81Å
351	D	97.4	Very high	97.1	Very high	151 Å²	151	55.4 Å²	55.4	81%	0.807	30%	0.304	S	S	*	.	H	α-helix	trans	-75.4	-31.6	174.8	-172.7	67.7	0	0	0	112.2	P347 Q348	P347-D351 PolarHBondContact O-N 2.88Å; Q348-D351 PolarHBondContact O-N 3.11Å
352	H	97.3	Very high	97	Very high	57 Å²	57	59.6 Å²	59.6	26%	0.264	32%	0.324	S	S	.	.	H	α-helix	trans	-77.6	-50.3	-175.7	-170	78.8	0	0	0	113.3	L318 P324 Q348 L349	L318-H352 HydrophobicContact CD2-CB 3.59Å; L318-H352 PolarHBondContact O-CE1 3.34Å; P324-H352 VanDerWaalsContact CB-CD2 3.49Å; P324-H352 WeakPolarHBondContact CB-CD2 3.4Å; P324-H352 WeakPolarHBondContact CB-NE2 3.27Å; P324-H352 VanDerWaalsContact CB-O 3.28Å; P324-H352 WeakPolarHBondContact CB-O 3.42Å; Q348-H352 VanDerWaalsContact O-CB 3.22Å; Q348-H352 WeakPolarHBondContact O-CB 3.31Å; Q348-H352 PolarHBondContact O-N 2.95Å; L349-H352 PolarHBondContact O-N 2.79Å
353	F	96.8	Very high	97	Very high	14 Å²	14	65.3 Å²	65.3	6%	0.061	35%	0.351	C	S	.	.	S	Bend	trans	-91.7	153.4	-172.9	-67.5	-66.6	0	0	0	113.4	L299 L317 P324 V327 L329 L349 V355 V356	L299-F353 HydrophobicContact CD2-CZ 4.43Å; L317-F353 HydrophobicContact CB-CE2 4.32Å; L317-F353 HydrophobicContact CB-CZ 4.28Å; P324-F353 HydrophobicContact CB-CD1 3.98Å; P324-F353 HydrophobicContact CB-CE1 4.24Å; V327-F353 HydrophobicContact CB-CD1 3.79Å; V327-F353 HydrophobicContact CB-CE1 4.02Å; V327-F353 HydrophobicContact CG1-CD1 3.9Å; V327-F353 HydrophobicContact CG1-CE1 3.89Å; L329-F353 HydrophobicContact CB-CB 4.39Å; L329-F353 HydrophobicContact CB-CD2 4.01Å; L329-F353 HydrophobicContact CB-CG 4.17Å; L329-F353 HydrophobicContact CD2-CD2 3.76Å; L329-F353 HydrophobicContact CD2-CE2 3.93Å; L329-F353 HydrophobicContact CG-CD2 4.46Å; L349-F353 HydrophobicContact CD2-CD2 4.33Å; L349-F353 HydrophobicContact CD2-CE2 3.82Å; L349-F353 WeakPolarHBondContact O-CD2 3.46Å; L349-F353 PolarHBondContact O-N 3.31Å; L349-F353 VanDerWaalsContact O-N 3.08Å; F353-V355 PolarHBondContact O-N 3.03Å; F353-V356 HydrophobicContact CB-CG1 3.87Å
354	A	88.4	Confident	96.9	Very high	49 Å²	49	66.4 Å²	66.4	41%	0.405	36%	0.36	S	S	.	.	S	Bend	trans	-61.2	-42.6	-177.2	0	0	0	0	0	113.5	P324 D325 V327	P324-A354 PolarHBondContact O-N 3.35Å; D325-A354 WeakPolarHBondContact O-CB 3.5Å; V327-A354 PolarHBondContact O-N 3.27Å
355	V	95.5	Very high	96.8	Very high	80 Å²	80	61.7 Å²	61.7	49%	0.485	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	134.8	178.6	177.3	0	0	0	0	107.4	T328 L329 F353	T328-V355 CarbonylContact C-O 3.48Å; T328-V355 WeakPolarHBondContact CA-O 3.32Å; T328-V355 HydrophobicContact CG2-CB 3.95Å; T328-V355 HydrophobicContact CG2-CG1 4.11Å; L329-V355 PolarHBondContact N-O 2.82Å; F353-V355 PolarHBondContact O-N 3.03Å
356	V	96.9	Very high	96.8	Very high	32 Å²	32	63.8 Å²	63.8	19%	0.194	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	142	176.1	-57.3	0	0	0	0	110.6	L329 W346 L349 Q350 F353	L329-V356 HydrophobicContact CB-CG1 4.11Å; L329-V356 HydrophobicContact CD2-CG1 4.29Å; L329-V356 CarbonylContact O-C 3.54Å; L329-V356 VanDerWaalsContact O-CA 3.28Å; L329-V356 WeakPolarHBondContact O-CA 3.49Å; W346-V356 HydrophobicContact CH2-CB 3.81Å; W346-V356 HydrophobicContact CH2-CG2 4.03Å; W346-V356 HydrophobicContact CZ2-CB 3.87Å; W346-V356 HydrophobicContact CZ2-CG2 3.53Å; L349-V356 WeakPolarHBondContact O-CG1 3.49Å; Q350-V356 HydrophobicContact CB-CG2 3.92Å; Q350-V356 HydrophobicContact CG-CG2 3.81Å; F353-V356 HydrophobicContact CB-CG1 3.87Å
357	K	98.2	Very high	96.8	Very high	83 Å²	83	63.9 Å²	63.9	36%	0.361	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	124.6	171.8	-177.8	177.4	174.8	-171.3	0	109.9	L329 F330 L331 M377	L329-K357 PolarHBondContact O-N 2.92Å; F330-K357 CarbonylContact C-O 3.6Å; F330-K357 WeakPolarHBondContact CA-O 3.47Å; F330-K357 HydrophobicContact CD2-CB 4.33Å; F330-K357 HydrophobicContact CD2-CD 4.05Å; F330-K357 HydrophobicContact CD2-CG 4.27Å; F330-K357 HydrophobicContact CE2-CD 4.23Å; L331-K357 PolarHBondContact N-O 3.02Å; K357-M377 HydrophobicContact CD-CE 3.73Å; K357-M377 HydrophobicContact CD-SD 4Å; K357-M377 PolarHBondContact NZ-SD 3.45Å
358	L	98.3	Very high	96.7	Very high	72 Å²	72	60 Å²	60	38%	0.377	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	137.8	171.8	-179.3	59.9	0	0	0	109.1	L331 I342 W346	L331-L358 HydrophobicContact CB-CD1 4.26Å; L331-L358 HydrophobicContact CD2-CD1 3.58Å; L331-L358 HydrophobicContact CG-CD1 4.45Å; L331-L358 CarbonylContact O-C 3.49Å; L331-L358 WeakPolarHBondContact O-CA 3.47Å; I342-L358 HydrophobicContact CG2-CD1 3.97Å; I342-L358 HydrophobicContact CG2-CD2 4.02Å; W346-L358 HydrophobicContact CE3-CB 4.5Å; W346-L358 HydrophobicContact CH2-CB 3.53Å; W346-L358 HydrophobicContact CZ2-CB 3.72Å; W346-L358 HydrophobicContact CZ3-CB 3.94Å; W346-L358 HydrophobicContact CZ3-CD1 4.4Å
359	V	98.6	Very high	96.8	Very high	11 Å²	11	60.1 Å²	60.1	7%	0.067	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	110.6	166.7	-178.8	0	0	0	0	106.3	F330 L331 H332 N333 E363 L365	F330-V359 HydrophobicContact CE2-CG2 3.56Å; F330-V359 HydrophobicContact CZ-CB 4.32Å; F330-V359 HydrophobicContact CZ-CG2 3.77Å; L331-V359 PolarHBondContact O-N 2.81Å; H332-V359 WeakPolarHBondContact CA-O 3.27Å; N333-V359 PolarHBondContact N-O 3.36Å; V359-E363 HydrophobicContact CG1-CB 4.03Å; V359-E363 HydrophobicContact CG1-CG 3.97Å; V359-L365 HydrophobicContact CG1-CD1 3.77Å
360	G	97.8	Very high	96.8	Very high	5 Å²	5	60.1 Å²	60.1	5%	0.052	33%	0.331	C	S	.	.			trans	-92.4	179.2	-175.8	0	0	0	0	0	113.7	N333 E362 E363	N333-G360 CarbonylContact O-C 3.52Å; G360-E362 WeakPolarHBondContact CA-OE2 3.44Å; G360-E362 PolarHBondContact O-N 2.98Å; G360-E362 VanDerWaalsContact O-N 3.14Å; G360-E363 PolarHBondContact O-N 3.49Å
361	P	96.9	Very high	96.9	Very high	22 Å²	22	55 Å²	55	14%	0.143	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-62.5	-21.5	-176.9	-20.9	33.1	0	0	0	113.4	N333 V336 E339 E363 A364	N333-P361 WeakPolarHBondContact O-CD 3.49Å; N333-P361 WeakPolarHBondContact O-CG 3.2Å; V336-P361 HydrophobicContact CG2-CB 4.07Å; V336-P361 HydrophobicContact CG2-CG 4.25Å; E339-P361 HydrophobicContact CG-CG 4.22Å; P361-E363 PolarHBondContact O-N 3.21Å; P361-A364 PolarHBondContact O-N 2.92Å; P361-A364 VanDerWaalsContact O-N 3.1Å
362	E	96	Very high	96.9	Very high	136 Å²	136	48 Å²	48	64%	0.636	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	-62.6	-23.8	-180	68.7	-78.4	-177.5	0	0	114.2	G360 A364	G360-E362 WeakPolarHBondContact CA-OE2 3.44Å; G360-E362 PolarHBondContact O-N 2.98Å; G360-E362 VanDerWaalsContact O-N 3.14Å; E362-A364 VanDerWaalsContact C-N 3.27Å
363	E	96.6	Very high	97	Very high	123 Å²	123	47.4 Å²	47.4	58%	0.575	27%	0.267	S	S	*	.	G	3₁₀ helix	trans	-80.1	-10.2	178	-64.6	-67.1	158	0	0	112.5	V359 G360 P361 L365	V359-E363 HydrophobicContact CG1-CB 4.03Å; V359-E363 HydrophobicContact CG1-CG 3.97Å; G360-E363 PolarHBondContact O-N 3.49Å; P361-E363 PolarHBondContact O-N 3.21Å; E363-L365 HydrophobicContact CB-CG 4.2Å; E363-L365 PolarHBondContact O-N 3.09Å
364	A	95.9	Very high	97.1	Very high	83 Å²	83	46.7 Å²	46.7	69%	0.686	26%	0.264	S	S	*	.			trans	50.7	39.3	175.2	0	0	0	0	0	114.3	P361 E362	P361-A364 PolarHBondContact O-N 2.92Å; P361-A364 VanDerWaalsContact O-N 3.1Å; E362-A364 VanDerWaalsContact C-N 3.27Å
365	L	96.6	Very high	97.6	Very high	29 Å²	29	44.4 Å²	44.4	15%	0.152	25%	0.245	C	C	.	.			trans	-79.4	137.3	175.9	-60.7	179.4	0	0	0	110.5	N334 V359 E363 E369 A370 M373	N334-L365 PolarHBondContact OD1-O 3.44Å; V359-L365 HydrophobicContact CG1-CD1 3.77Å; E363-L365 HydrophobicContact CB-CG 4.2Å; E363-L365 PolarHBondContact O-N 3.09Å; L365-E369 HydrophobicContact CB-CB 4.45Å; L365-E369 HydrophobicContact CD2-CB 4.42Å; L365-A370 HydrophobicContact CB-CB 4.35Å; L365-A370 HydrophobicContact CD1-CB 4.41Å; L365-M373 HydrophobicContact CD1-CE 3.51Å; L365-M373 HydrophobicContact CD1-SD 4.32Å; L365-M373 HydrophobicContact CD2-CE 4.3Å
366	S	97	Very high	97.7	Very high	50 Å²	50	41.8 Å²	41.8	35%	0.35	23%	0.229	S	C	.	.			trans	-68.9	159.2	165.6	66	0	0	0	0	111.1	G368 E369 A370	S366-G368 PolarHBondContact O-N 3.22Å; S366-E369 VanDerWaalsContact CB-OE2 3.32Å; S366-E369 WeakPolarHBondContact CB-OE2 3.36Å; S366-E369 PolarHBondContact N-OE2 3.36Å; S366-E369 PolarHBondContact O-N 2.98Å; S366-E369 VanDerWaalsContact O-N 3.08Å; S366-E369 VanDerWaalsContact OG-CD 3.25Å; S366-E369 VanDerWaalsContact OG-CG 3.28Å; S366-E369 WeakPolarHBondContact OG-CG 3.37Å; S366-E369 PolarHBondContact OG-N 3.42Å; S366-E369 PolarHBondContact OG-OE2 3.01Å; S366-A370 PolarHBondContact O-N 3.05Å
367	P	97.4	Very high	97.8	Very high	47 Å²	47	43.2 Å²	43.2	31%	0.305	23%	0.234	S	C	.	.	H	α-helix	trans	-55	-36.6	176.3	-28.7	35.7	0	0	0	113.4	E304 R371	E304-P367 HydrophobicContact CB-CB 4.49Å; E304-P367 HydrophobicContact CB-CG 4.3Å; E304-P367 HydrophobicContact CG-CB 4.17Å; E304-P367 HydrophobicContact CG-CG 4.45Å; P367-R371 WeakPolarHBondContact O-CB 3.48Å; P367-R371 WeakPolarHBondContact O-CG 3.38Å; P367-R371 PolarHBondContact O-N 2.74Å; P367-R371 VanDerWaalsContact O-N 3.15Å
368	G	97.8	Very high	97.8	Very high	3 Å²	3	39.3 Å²	39.3	3%	0.031	22%	0.217	C	C	.	.	H	α-helix	trans	-64.3	-47.6	176	0	0	0	0	0	112.5	S366 A370 R371 D372 S482	S366-G368 PolarHBondContact O-N 3.22Å; G368-A370 PolarHBondContact O-N 3.05Å; G368-R371 PolarHBondContact O-N 3.49Å; G368-D372 WeakPolarHBondContact O-CB 3.45Å; G368-D372 PolarHBondContact O-N 3.16Å; G368-S482 PolarHBondContact O-OG 3.27Å
369	E	98	Very high	97.7	Very high	97 Å²	97	36.3 Å²	36.3	45%	0.453	20%	0.201	S	C	.	.	H	α-helix	trans	-66	-38.9	-178.9	-70.9	163.6	138.3	0	0	112.4	L365 S366 M373 S482	L365-E369 HydrophobicContact CB-CB 4.45Å; L365-E369 HydrophobicContact CD2-CB 4.42Å; S366-E369 VanDerWaalsContact CB-OE2 3.32Å; S366-E369 WeakPolarHBondContact CB-OE2 3.36Å; S366-E369 PolarHBondContact N-OE2 3.36Å; S366-E369 PolarHBondContact O-N 2.98Å; S366-E369 VanDerWaalsContact O-N 3.08Å; S366-E369 VanDerWaalsContact OG-CD 3.25Å; S366-E369 VanDerWaalsContact OG-CG 3.28Å; S366-E369 WeakPolarHBondContact OG-CG 3.37Å; S366-E369 PolarHBondContact OG-N 3.42Å; S366-E369 PolarHBondContact OG-OE2 3.01Å; E369-M373 VanDerWaalsContact O-CB 3.3Å; E369-M373 WeakPolarHBondContact O-CB 3.39Å; E369-M373 PolarHBondContact O-N 3.31Å; E369-S482 PolarHBondContact N-OG 3.02Å
370	A	98.4	Very high	97.7	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-64.2	-43.7	176.1	0	0	0	0	0	111.8	F302 H332 L365 S366 G368 M373 A374	F302-A370 HydrophobicContact CE1-CB 4.42Å; H332-A370 HydrophobicContact CB-CB 4.18Å; H332-A370 VanDerWaalsContact CE1-CB 3.49Å; H332-A370 WeakPolarHBondContact CE1-CB 3.35Å; H332-A370 VanDerWaalsContact CG-CB 3.49Å; H332-A370 WeakPolarHBondContact ND1-CB 3.29Å; L365-A370 HydrophobicContact CB-CB 4.35Å; L365-A370 HydrophobicContact CD1-CB 4.41Å; S366-A370 PolarHBondContact O-N 3.05Å; G368-A370 PolarHBondContact O-N 3.05Å; A370-M373 PolarHBondContact O-N 3.1Å; A370-A374 PolarHBondContact O-N 3.23Å
371	R	98.6	Very high	97.7	Very high	10 Å²	10	44.8 Å²	44.8	4%	0.038	24%	0.24	C	C	.	.	H	α-helix	trans	-67.2	-42.1	176.6	-69.7	178.1	-170.3	-78.6	15.4	112.2	F302 P367 G368 M373 A374 M375 D391 F481 D489	F302-R371 HydrophobicContact CD1-CG 3.83Å; F302-R371 HydrophobicContact CD2-CG 4.43Å; F302-R371 HydrophobicContact CE1-CB 4.16Å; F302-R371 HydrophobicContact CE1-CG 3.54Å; F302-R371 HydrophobicContact CE2-CG 4.17Å; F302-R371 HydrophobicContact CG-CG 4.27Å; F302-R371 HydrophobicContact CZ-CB 4.18Å; F302-R371 HydrophobicContact CZ-CG 3.71Å; P367-R371 WeakPolarHBondContact O-CB 3.48Å; P367-R371 WeakPolarHBondContact O-CG 3.38Å; P367-R371 PolarHBondContact O-N 2.74Å; P367-R371 VanDerWaalsContact O-N 3.15Å; G368-R371 PolarHBondContact O-N 3.49Å; R371-M373 VanDerWaalsContact C-N 3.33Å; R371-M373 PolarHBondContact O-N 3.26Å; R371-A374 PolarHBondContact O-N 2.86Å; R371-M375 VanDerWaalsContact O-CB 3.3Å; R371-M375 WeakPolarHBondContact O-CB 3.41Å; R371-M375 PolarHBondContact O-N 2.95Å; R371-D391 IonicContact CZ-OD1 2.96Å; R371-D391 IonicContact CZ-OD2 2.67Å; R371-D391 IonicContact NH1-OD1 3.85Å; R371-D391 PolarHBondContact NH1-OD1 2.93Å; R371-D391 IonicContact NH1-OD2 2.77Å; R371-D391 VanDerWaalsContact NH2-CG 3.32Å; R371-D391 IonicContact NH2-OD1 3.94Å; R371-D391 PolarHBondContact NH2-OD1 2.71Å; R371-D391 IonicContact NH2-OD2 3.86Å; R371-D391 PolarHBondContact NH2-OD2 2.9Å; R371-F481 HydrophobicContact CB-CB 4.29Å; R371-F481 HydrophobicContact CB-CD1 3.84Å; R371-F481 HydrophobicContact CB-CD2 3.55Å; R371-F481 HydrophobicContact CB-CE1 4.01Å; R371-F481 HydrophobicContact CB-CE2 3.74Å; R371-F481 HydrophobicContact CB-CG 3.63Å; R371-F481 HydrophobicContact CB-CZ 3.98Å; R371-F481 HydrophobicContact CG-CD1 4.34Å; R371-F481 HydrophobicContact CG-CE1 4.36Å; R371-D489 IonicContact CZ-OD1 3.42Å; R371-D489 IonicContact NE-OD1 3.44Å; R371-D489 IonicContact NH2-OD1 3.52Å
372	D	98.6	Very high	97.6	Very high	4 Å²	4	48.4 Å²	48.4	2%	0.021	26%	0.263	C	S	.	.	H	α-helix	trans	-61.7	-41.7	173.7	-78.7	-32.2	0	0	0	111.1	G368 D376 R478 V480 F481 S482	G368-D372 WeakPolarHBondContact O-CB 3.45Å; G368-D372 PolarHBondContact O-N 3.16Å; D372-D376 WeakPolarHBondContact O-CB 3.42Å; D372-D376 PolarHBondContact O-N 2.82Å; D372-R478 VanDerWaalsContact CG-O 3.26Å; D372-V480 WeakPolarHBondContact OD1-CA 3.42Å; D372-V480 WeakPolarHBondContact OD1-CB 3.38Å; D372-V480 PolarHBondContact OD1-N 3.21Å; D372-F481 VanDerWaalsContact OD1-CD2 3.29Å; D372-F481 WeakPolarHBondContact OD1-CD2 3.45Å; D372-F481 PolarHBondContact OD1-N 2.91Å; D372-S482 WeakPolarHBondContact OD2-CB 3.35Å; D372-S482 PolarHBondContact OD2-N 3.03Å; D372-S482 PolarHBondContact OD2-OG 3.23Å
373	M	98.4	Very high	97.6	Very high	45 Å²	45	47.1 Å²	47.1	22%	0.222	26%	0.257	C	S	.	.	H	α-helix	trans	-60.9	-51.4	176	-177.5	-174.5	-60.2	0	0	111.7	F330 L365 E369 A370 R371 D376 M377	F330-M373 HydrophobicContact CE2-SD 4.36Å; F330-M373 HydrophobicContact CZ-SD 4.44Å; L365-M373 HydrophobicContact CD1-CE 3.51Å; L365-M373 HydrophobicContact CD1-SD 4.32Å; L365-M373 HydrophobicContact CD2-CE 4.3Å; E369-M373 VanDerWaalsContact O-CB 3.3Å; E369-M373 WeakPolarHBondContact O-CB 3.39Å; E369-M373 PolarHBondContact O-N 3.31Å; A370-M373 PolarHBondContact O-N 3.1Å; R371-M373 VanDerWaalsContact C-N 3.33Å; R371-M373 PolarHBondContact O-N 3.26Å; M373-D376 PolarHBondContact O-N 3.12Å; M373-M377 WeakPolarHBondContact O-CG 3.48Å; M373-M377 PolarHBondContact O-N 3.07Å
374	A	98.6	Very high	97.7	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-63.3	-43.8	-178	0	0	0	0	0	112	A300 F302 F330 A370 R371 D376 M377 C378 Y387	A300-A374 HydrophobicContact CB-CB 3.84Å; F302-A374 HydrophobicContact CE1-CB 4.14Å; F302-A374 HydrophobicContact CZ-CB 3.67Å; F330-A374 HydrophobicContact CD1-CB 3.61Å; F330-A374 HydrophobicContact CE1-CB 3.59Å; F330-A374 HydrophobicContact CG-CB 4.19Å; F330-A374 HydrophobicContact CZ-CB 4.15Å; A370-A374 PolarHBondContact O-N 3.23Å; R371-A374 PolarHBondContact O-N 2.86Å; A374-D376 VanDerWaalsContact C-N 3.35Å; A374-M377 PolarHBondContact O-N 3.09Å; A374-C378 PolarHBondContact O-N 2.7Å; A374-Y387 HydrophobicContact CB-CE2 4.23Å
375	M	98.6	Very high	97.8	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-64.2	-40.9	177.2	-175.6	177.4	-75.9	0	0	111.4	R371 C378 R379 Y387 I466 L471 V480 F481 F492	R371-M375 VanDerWaalsContact O-CB 3.3Å; R371-M375 WeakPolarHBondContact O-CB 3.41Å; R371-M375 PolarHBondContact O-N 2.95Å; M375-C378 PolarHBondContact O-N 3.28Å; M375-R379 PolarHBondContact O-N 2.9Å; M375-Y387 HydrophobicContact CB-CE2 4.46Å; M375-Y387 HydrophobicContact CE-CD1 4.42Å; M375-Y387 HydrophobicContact CE-CE1 4.05Å; M375-I466 HydrophobicContact CE-CD1 3.65Å; M375-L471 HydrophobicContact CE-CD2 4.3Å; M375-L471 HydrophobicContact CG-CD1 3.79Å; M375-L471 HydrophobicContact CG-CD2 3.77Å; M375-L471 HydrophobicContact CG-CG 4.41Å; M375-L471 HydrophobicContact SD-CD2 3.61Å; M375-V480 HydrophobicContact CE-CG1 4.49Å; M375-V480 HydrophobicContact SD-CB 4.16Å; M375-V480 HydrophobicContact SD-CG1 4Å; M375-V480 HydrophobicContact SD-CG2 4.03Å; M375-F481 HydrophobicContact CB-CE2 4.48Å; M375-F481 HydrophobicContact CE-CE2 3.37Å; M375-F481 HydrophobicContact CE-CZ 3.63Å; M375-F481 HydrophobicContact SD-CE2 3.95Å; M375-F492 HydrophobicContact CE-CD2 4.1Å; M375-F492 HydrophobicContact CE-CE2 3.88Å
376	D	98.3	Very high	97.8	Very high	26 Å²	26	39.4 Å²	39.4	14%	0.139	21%	0.207	C	C	.	.	H	α-helix	trans	-68.1	-34.1	177.6	-163.2	49.5	0	0	0	112.3	D372 M373 A374 C378 R379 Q380 R478	D372-D376 WeakPolarHBondContact O-CB 3.42Å; D372-D376 PolarHBondContact O-N 2.82Å; M373-D376 PolarHBondContact O-N 3.12Å; A374-D376 VanDerWaalsContact C-N 3.35Å; D376-C378 VanDerWaalsContact C-N 3.33Å; D376-C378 PolarHBondContact O-N 3.34Å; D376-R379 WeakPolarHBondContact O-CB 3.43Å; D376-R379 PolarHBondContact O-N 2.85Å; D376-R379 IonicContact OD1-CZ 3.62Å; D376-R379 IonicContact OD1-NH1 3.22Å; D376-R379 PolarHBondContact OD1-NH1 2.78Å; D376-Q380 VanDerWaalsContact O-CG 3.3Å; D376-Q380 WeakPolarHBondContact O-CG 3.27Å; D376-Q380 PolarHBondContact O-N 3.33Å; D376-Q380 PolarHBondContact OD1-NE2 3.17Å; D376-Q380 VanDerWaalsContact OD1-NE2 3.11Å; D376-R478 HydrophobicContact CB-CG 4.46Å
377	M	98.3	Very high	97.9	Very high	62 Å²	62	37 Å²	37	31%	0.305	19%	0.19	S	C	.	.	H	α-helix	trans	-58.1	-43.6	173.3	-74.5	-176.9	65	0	0	112.3	F298 F330 K357 M373 A374 D381	F298-M377 HydrophobicContact CE1-CB 4.44Å; F298-M377 HydrophobicContact CE2-CB 4.02Å; F298-M377 HydrophobicContact CE2-CE 4.16Å; F298-M377 HydrophobicContact CZ-CB 3.73Å; F298-M377 HydrophobicContact CZ-CE 3.97Å; F298-M377 HydrophobicContact CZ-SD 4.22Å; F330-M377 HydrophobicContact CD2-SD 3.94Å; F330-M377 HydrophobicContact CE2-SD 4.06Å; K357-M377 HydrophobicContact CD-CE 3.73Å; K357-M377 HydrophobicContact CD-SD 4Å; K357-M377 PolarHBondContact NZ-SD 3.45Å; M373-M377 WeakPolarHBondContact O-CG 3.48Å; M373-M377 PolarHBondContact O-N 3.07Å; A374-M377 PolarHBondContact O-N 3.09Å; M377-D381 WeakPolarHBondContact O-CB 3.29Å; M377-D381 PolarHBondContact O-N 2.88Å
378	C	98.2	Very high	98	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-68.8	-38.1	172.1	173.8	0	0	0	0	112.2	F298 A374 M375 D376 Q380 D381 C384 Y387	F298-C378 HydrophobicContact CB-CB 3.95Å; F298-C378 HydrophobicContact CD1-CB 4.4Å; F298-C378 HydrophobicContact CG-CB 4.07Å; A374-C378 PolarHBondContact O-N 2.7Å; M375-C378 PolarHBondContact O-N 3.28Å; D376-C378 VanDerWaalsContact C-N 3.33Å; D376-C378 PolarHBondContact O-N 3.34Å; C378-Q380 PolarHBondContact O-N 2.78Å; C378-D381 PolarHBondContact O-N 2.75Å; C378-D381 VanDerWaalsContact O-O 3.05Å; C378-C384 HydrophobicContact CB-CB 3.96Å; C378-C384 WeakPolarHBondContact CB-SG 3.27Å; C378-C384 WeakPolarHBondContact O-CB 3.44Å; C378-C384 WeakPolarHBondContact SG-CB 3.45Å; C378-C384 CovalentContact SG-SG 2.04Å; C378-C384 PolarHBondContact SG-SG 3.14Å; C378-Y387 HydrophobicContact CB-CD2 3.97Å
379	R	98.1	Very high	98.1	Very high	10 Å²	10	34.7 Å²	34.7	4%	0.038	17%	0.174	C	C	.	.	H	α-helix	trans	-59.9	-45	179.1	-174	-172.7	-68.5	110.5	-2.2	111.9	M375 D376 D381 L471 R472 L475 Q477	M375-R379 PolarHBondContact O-N 2.9Å; D376-R379 WeakPolarHBondContact O-CB 3.43Å; D376-R379 PolarHBondContact O-N 2.85Å; D376-R379 IonicContact OD1-CZ 3.62Å; D376-R379 IonicContact OD1-NH1 3.22Å; D376-R379 PolarHBondContact OD1-NH1 2.78Å; R379-D381 VanDerWaalsContact C-N 3.31Å; R379-L471 HydrophobicContact CB-CB 4.21Å; R379-L471 WeakPolarHBondContact CD-O 3.49Å; R379-L471 HydrophobicContact CG-CB 4.14Å; R379-L471 PolarHBondContact NE-O 3.24Å; R379-L471 VanDerWaalsContact NE-O 3.17Å; R379-R472 HydrophobicContact CG-CG 4.1Å; R379-R472 WeakPolarHBondContact O-CD 3.39Å; R379-R472 WeakPolarHBondContact O-CG 3.48Å; R379-L475 PolarHBondContact NE-O 3.09Å; R379-L475 PolarHBondContact NH2-O 2.78Å; R379-L475 VanDerWaalsContact NH2-O 3.14Å; R379-Q477 VanDerWaalsContact CZ-O 3.25Å; R379-Q477 PolarHBondContact NH2-O 3.44Å
380	Q	97.6	Very high	98.1	Very high	133 Å²	133	30.2 Å²	30.2	62%	0.621	15%	0.153	S	C	*	.	H	α-helix	trans	-75.8	-19.2	-178.2	-59.5	-57.4	-33.5	0	0	113	D376 C378 P382	D376-Q380 VanDerWaalsContact O-CG 3.3Å; D376-Q380 WeakPolarHBondContact O-CG 3.27Å; D376-Q380 PolarHBondContact O-N 3.33Å; D376-Q380 PolarHBondContact OD1-NE2 3.17Å; D376-Q380 VanDerWaalsContact OD1-NE2 3.11Å; C378-Q380 PolarHBondContact O-N 2.78Å; Q380-P382 WeakPolarHBondContact O-CD 3.46Å
381	D	97.4	Very high	98.1	Very high	61 Å²	61	30.8 Å²	30.8	33%	0.326	16%	0.157	S	C	.	.			trans	-91.4	109.7	177.1	-173.1	-1.9	0	0	0	111.3	M377 C378 R379 E383 C384 R472	M377-D381 WeakPolarHBondContact O-CB 3.29Å; M377-D381 PolarHBondContact O-N 2.88Å; C378-D381 PolarHBondContact O-N 2.75Å; C378-D381 VanDerWaalsContact O-O 3.05Å; R379-D381 VanDerWaalsContact C-N 3.31Å; D381-E383 PolarHBondContact O-N 2.92Å; D381-E383 WeakPolarHBondContact OD1-CB 3.42Å; D381-E383 PolarHBondContact OD1-N 3.26Å; D381-C384 HydrophobicContact CB-CB 4.2Å; D381-C384 WeakPolarHBondContact O-CB 3.41Å; D381-C384 PolarHBondContact O-N 3.35Å; D381-R472 PolarHBondContact O-NH1 3.27Å
382	P	96.1	Very high	98.1	Very high	97 Å²	97	30.5 Å²	30.5	63%	0.63	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-19.9	177.9	29.1	-35.5	0	0	0	113.1	Q380 C384	Q380-P382 WeakPolarHBondContact O-CD 3.46Å; P382-C384 VanDerWaalsContact C-N 3.28Å
383	E	96.1	Very high	98.1	Very high	110 Å²	110	30.9 Å²	30.9	51%	0.514	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78	-14.4	175.3	-63.3	-68.4	124.7	0	0	112.1	R296 D381 E385	R296-E383 VanDerWaalsContact CB-O 3.32Å; R296-E383 WeakPolarHBondContact CB-O 3.35Å; D381-E383 PolarHBondContact O-N 2.92Å; D381-E383 WeakPolarHBondContact OD1-CB 3.42Å; D381-E383 PolarHBondContact OD1-N 3.26Å; E383-E385 PolarHBondContact O-N 3.36Å
384	C	97.4	Very high	98.1	Very high	4 Å²	4	28.8 Å²	28.8	3%	0.027	15%	0.148	C	C	.	.			trans	-75.1	102	172.9	-170.4	0	0	0	0	110.4	F298 C378 D381 P382 F386 R472	F298-C384 WeakPolarHBondContact CB-SG 3.25Å; C378-C384 HydrophobicContact CB-CB 3.96Å; C378-C384 WeakPolarHBondContact CB-SG 3.27Å; C378-C384 WeakPolarHBondContact O-CB 3.44Å; C378-C384 WeakPolarHBondContact SG-CB 3.45Å; C378-C384 CovalentContact SG-SG 2.04Å; C378-C384 PolarHBondContact SG-SG 3.14Å; D381-C384 HydrophobicContact CB-CB 4.2Å; D381-C384 WeakPolarHBondContact O-CB 3.41Å; D381-C384 PolarHBondContact O-N 3.35Å; P382-C384 VanDerWaalsContact C-N 3.28Å; C384-F386 PolarHBondContact SG-O 3.48Å; C384-R472 PolarHBondContact O-NH1 3.05Å; C384-R472 PolarHBondContact O-NH2 3.45Å
385	E	97.7	Very high	98.1	Very high	65 Å²	65	29.1 Å²	29.1	30%	0.304	15%	0.15	S	C	.	.			trans	-80.9	-36.3	175	-74.9	-177.4	-104.6	0	0	112.1	R286 P295 R296 E383 G468	R286-E385 IonicContact CZ-OE2 3.43Å; R286-E385 IonicContact NH1-OE2 3.43Å; R286-E385 IonicContact NH2-OE2 2.76Å; R286-E385 PolarHBondContact NH2-OE2 2.87Å; P295-E385 VanDerWaalsContact CA-OE1 3.3Å; P295-E385 WeakPolarHBondContact CA-OE1 3.42Å; P295-E385 HydrophobicContact CB-CB 3.99Å; P295-E385 HydrophobicContact CB-CG 4.45Å; R296-E385 PolarHBondContact N-OE1 3.37Å; R296-E385 PolarHBondContact O-N 3.4Å; E383-E385 PolarHBondContact O-N 3.36Å; E385-G468 PolarHBondContact O-N 3.07Å
386	F	98.4	Very high	98.1	Very high	4 Å²	4	29.3 Å²	29.3	2%	0.018	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	138.1	179	-68.8	-83.9	0	0	0	112.2	P295 R296 V297 F298 C384 I406 V465 I466 R467	P295-F386 HydrophobicContact CB-CD2 3.67Å; P295-F386 HydrophobicContact CB-CE2 3.79Å; P295-F386 HydrophobicContact CG-CD2 4.24Å; P295-F386 HydrophobicContact CG-CE2 3.86Å; R296-F386 PolarHBondContact O-N 3.37Å; V297-F386 CarbonylContact C-O 3.57Å; V297-F386 VanDerWaalsContact CA-O 3.32Å; V297-F386 WeakPolarHBondContact CA-O 3.44Å; V297-F386 HydrophobicContact CG2-CB 4.31Å; F298-F386 PolarHBondContact N-O 2.89Å; C384-F386 PolarHBondContact SG-O 3.48Å; F386-I406 HydrophobicContact CD1-CG1 4.35Å; F386-I406 HydrophobicContact CD2-CD1 4.16Å; F386-I406 HydrophobicContact CD2-CG1 4.11Å; F386-I406 HydrophobicContact CD2-CG2 4.38Å; F386-I406 HydrophobicContact CE1-CG1 4.48Å; F386-I406 HydrophobicContact CE2-CG1 4.26Å; F386-I406 HydrophobicContact CE2-CG2 3.77Å; F386-I406 HydrophobicContact CG-CD1 4.41Å; F386-I406 HydrophobicContact CG-CG1 4.15Å; F386-I406 HydrophobicContact CZ-CG1 4.44Å; F386-I406 HydrophobicContact CZ-CG2 3.94Å; F386-V465 HydrophobicContact CB-CG1 4.16Å; F386-V465 HydrophobicContact CD1-CG1 3.62Å; F386-V465 HydrophobicContact CE1-CG1 4.42Å; F386-V465 HydrophobicContact CG-CG1 4.21Å; F386-I466 CarbonylContact C-O 3.44Å; F386-I466 WeakPolarHBondContact CA-O 3.28Å; F386-R467 HydrophobicContact CE1-CB 4.34Å; F386-R467 HydrophobicContact CE1-CG 4.4Å
387	Y	98.8	Very high	98.1	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	125.7	168.2	175.5	-103.5	0	0	0	108.9	F298 A300 F302 A374 M375 C378 Y464 V465 I466	F298-Y387 AromaticContact CD1-CD2 3.95Å; F298-Y387 HydrophobicContact CD1-CD2 3.95Å; F298-Y387 HydrophobicContact CD1-CE2 4.07Å; A300-Y387 HydrophobicContact CB-CE2 3.54Å; A300-Y387 WeakPolarHBondContact CB-OH 3.3Å; F302-Y387 WeakPolarHBondContact CE2-OH 3.49Å; F302-Y387 WeakPolarHBondContact CZ-OH 3.49Å; A374-Y387 HydrophobicContact CB-CE2 4.23Å; M375-Y387 HydrophobicContact CB-CE2 4.46Å; M375-Y387 HydrophobicContact CE-CD1 4.42Å; M375-Y387 HydrophobicContact CE-CE1 4.05Å; C378-Y387 HydrophobicContact CB-CD2 3.97Å; Y387-Y464 HydrophobicContact CE1-CE2 4.17Å; Y387-V465 CarbonylContact O-C 3.59Å; Y387-V465 VanDerWaalsContact O-CA 3.32Å; Y387-V465 WeakPolarHBondContact O-CA 3.37Å; Y387-I466 HydrophobicContact CD1-CB 4.43Å; Y387-I466 HydrophobicContact CD1-CD1 4.02Å; Y387-I466 HydrophobicContact CD1-CG1 4.45Å; Y387-I466 HydrophobicContact CE1-CD1 4.48Å; Y387-I466 PolarHBondContact N-O 3.47Å; Y387-I466 PolarHBondContact O-N 3.23Å
388	F	98.9	Very high	98.1	Very high	1 Å²	1	29.3 Å²	29.3	0%	0.004	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	108	174.9	-177.4	-153.5	0	0	0	109.4	V297 F298 L299 A300 L390 L396 L402 Y464 V465	V297-F388 HydrophobicContact CG1-CB 3.9Å; F298-F388 PolarHBondContact O-N 3.15Å; L299-F388 CarbonylContact C-O 3.52Å; L299-F388 WeakPolarHBondContact CA-O 3.21Å; L299-F388 HydrophobicContact CD1-CB 4.39Å; L299-F388 HydrophobicContact CD1-CD1 3.61Å; L299-F388 HydrophobicContact CD1-CE1 4.12Å; L299-F388 HydrophobicContact CD1-CG 4.14Å; A300-F388 PolarHBondContact N-O 3.34Å; F388-L390 HydrophobicContact CZ-CB 4.42Å; F388-L390 HydrophobicContact CZ-CD1 4.29Å; F388-L396 HydrophobicContact CE1-CD1 4.45Å; F388-L396 HydrophobicContact CZ-CD1 4.04Å; F388-L402 HydrophobicContact CB-CD1 4.13Å; F388-L402 HydrophobicContact CD1-CB 4.46Å; F388-L402 HydrophobicContact CD1-CD1 3.75Å; F388-L402 HydrophobicContact CD1-CD2 4.23Å; F388-L402 HydrophobicContact CD1-CG 4.37Å; F388-L402 HydrophobicContact CE1-CB 4.35Å; F388-L402 HydrophobicContact CE1-CD1 4.37Å; F388-L402 HydrophobicContact CG-CD1 3.98Å; F388-Y464 WeakPolarHBondContact CD2-O 3.29Å; F388-V465 HydrophobicContact CB-CG2 4.19Å; F388-V465 HydrophobicContact CD2-CG2 3.55Å; F388-V465 HydrophobicContact CE2-CG2 4.13Å; F388-V465 HydrophobicContact CG-CG2 3.96Å
389	S	98.9	Very high	98.1	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	133.8	171.9	-168.2	0	0	0	0	109.5	A300 F302 A463 Y464	A300-S389 CarbonylContact O-C 3.56Å; A300-S389 WeakPolarHBondContact O-CA 3.46Å; F302-S389 VanDerWaalsContact CE2-OG 3.27Å; F302-S389 WeakPolarHBondContact CE2-OG 3.3Å; S389-A463 VanDerWaalsContact O-CA 3.31Å; S389-A463 WeakPolarHBondContact O-CA 3.44Å; S389-Y464 PolarHBondContact N-O 2.87Å; S389-Y464 PolarHBondContact O-N 3.11Å; S389-Y464 PolarHBondContact OG-OH 3.47Å
390	L	98.9	Very high	98.1	Very high	3 Å²	3	35.4 Å²	35.4	2%	0.016	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	113.9	177.5	-175.1	64.9	0	0	0	111.5	L299 A300 V301 F302 F313 L317 F388 A394 L396 Q462 A463	L299-L390 HydrophobicContact CD1-CB 4.12Å; A300-L390 PolarHBondContact O-N 3.09Å; V301-L390 VanDerWaalsContact CA-O 3.25Å; V301-L390 WeakPolarHBondContact CA-O 3.46Å; F302-L390 PolarHBondContact N-O 3.2Å; F313-L390 HydrophobicContact CE2-CD2 3.96Å; F313-L390 HydrophobicContact CE2-CG 4.02Å; F313-L390 HydrophobicContact CZ-CD2 3.87Å; F313-L390 HydrophobicContact CZ-CG 3.97Å; L317-L390 HydrophobicContact CD2-CD2 4.1Å; F388-L390 HydrophobicContact CZ-CB 4.42Å; F388-L390 HydrophobicContact CZ-CD1 4.29Å; L390-A394 HydrophobicContact CD1-CB 3.64Å; L390-L396 HydrophobicContact CD1-CD1 3.93Å; L390-L396 HydrophobicContact CD1-CD2 4.4Å; L390-L396 HydrophobicContact CD1-CG 4.12Å; L390-L396 HydrophobicContact CD2-CD1 3.9Å; L390-Q462 CarbonylContact C-O 3.6Å; L390-Q462 WeakPolarHBondContact CA-O 3.21Å; L390-A463 HydrophobicContact CD1-CB 3.84Å
391	D	98.9	Very high	98.1	Very high	12 Å²	12	29 Å²	29	6%	0.064	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	152.8	179.3	-66	8.1	0	0	0	111.3	F313 R371 D393 A394 Q462	F313-D391 WeakPolarHBondContact CE2-O 3.28Å; R371-D391 IonicContact CZ-OD1 2.96Å; R371-D391 IonicContact CZ-OD2 2.67Å; R371-D391 IonicContact NH1-OD1 3.85Å; R371-D391 PolarHBondContact NH1-OD1 2.93Å; R371-D391 IonicContact NH1-OD2 2.77Å; R371-D391 VanDerWaalsContact NH2-CG 3.32Å; R371-D391 IonicContact NH2-OD1 3.94Å; R371-D391 PolarHBondContact NH2-OD1 2.71Å; R371-D391 IonicContact NH2-OD2 3.86Å; R371-D391 PolarHBondContact NH2-OD2 2.9Å; D391-D393 PolarHBondContact O-N 3.43Å; D391-A394 VanDerWaalsContact O-CB 3.32Å; D391-A394 WeakPolarHBondContact O-CB 3.29Å; D391-A394 PolarHBondContact O-N 2.62Å; D391-Q462 HydrophobicContact CB-CB 4.34Å; D391-Q462 HydrophobicContact CB-CG 4.36Å; D391-Q462 PolarHBondContact N-O 3.32Å
392	A	98.6	Very high	98.1	Very high	3 Å²	3	26.4 Å²	26.4	3%	0.025	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-26.3	-175.4	0	0	0	0	0	114.6	F302 V303 T307 L310 A394	F302-A392 PolarHBondContact O-N 3.48Å; V303-A392 HydrophobicContact CB-CB 4.42Å; V303-A392 HydrophobicContact CG1-CB 4.35Å; V303-A392 HydrophobicContact CG2-CB 4.08Å; T307-A392 HydrophobicContact CG2-CB 4Å; L310-A392 HydrophobicContact CD1-CB 4.01Å; A392-A394 VanDerWaalsContact C-N 3.27Å; A392-A394 PolarHBondContact O-N 3Å
393	D	98.6	Very high	98.1	Very high	12 Å²	12	24.7 Å²	24.7	6%	0.064	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-0.6	179.3	70.8	-23.5	0	0	0	113.4	T307 D391 Q462 L514 L515 T517	T307-D393 HydrophobicContact CG2-CB 4.25Å; D391-D393 PolarHBondContact O-N 3.43Å; D393-Q462 VanDerWaalsContact OD1-CG 3.3Å; D393-Q462 WeakPolarHBondContact OD1-CG 3.08Å; D393-L514 WeakPolarHBondContact O-CA 3.39Å; D393-L515 HydrophobicContact CB-CB 4.26Å; D393-L515 PolarHBondContact O-N 3.17Å; D393-T517 HydrophobicContact CB-CG2 3.93Å
394	A	98.8	Very high	98.1	Very high	1 Å²	1	20.3 Å²	20.3	1%	0.008	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	107.8	176.1	0	0	0	0	0	112.3	L390 D391 A392 L396 L417 Q462 L514	L390-A394 HydrophobicContact CD1-CB 3.64Å; D391-A394 VanDerWaalsContact O-CB 3.32Å; D391-A394 WeakPolarHBondContact O-CB 3.29Å; D391-A394 PolarHBondContact O-N 2.62Å; A392-A394 VanDerWaalsContact C-N 3.27Å; A392-A394 PolarHBondContact O-N 3Å; A394-L396 PolarHBondContact O-N 3.42Å; A394-L417 HydrophobicContact CB-CD1 3.65Å; A394-Q462 HydrophobicContact CB-CB 4.42Å; A394-L514 HydrophobicContact CB-CD2 4.49Å
395	V	98.8	Very high	98.1	Very high	8 Å²	8	20.1 Å²	20.1	5%	0.048	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	99.7	177.4	-176	0	0	0	0	110	T397 G512 R513 L515	V395-T397 PolarHBondContact O-N 2.99Å; V395-G512 CarbonylContact O-C 3.55Å; V395-G512 WeakPolarHBondContact O-CA 3.27Å; V395-R513 HydrophobicContact CB-CG 3.85Å; V395-R513 HydrophobicContact CG1-CG 4.34Å; V395-R513 HydrophobicContact CG2-CG 4.49Å; V395-R513 PolarHBondContact N-O 2.9Å; V395-R513 PolarHBondContact O-N 3.06Å; V395-L515 HydrophobicContact CG2-CD1 4.08Å; V395-L515 HydrophobicContact CG2-CD2 3.77Å; V395-L515 HydrophobicContact CG2-CG 3.69Å
396	L	98.6	Very high	98	Very high	3 Å²	3	17.1 Å²	17.1	2%	0.016	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	99.4	176.2	-59.6	-176.8	0	0	0	111.1	R316 L320 F388 L390 A394 N398 T401 L417 F511	R316-L396 WeakPolarHBondContact CD-O 3.31Å; L320-L396 HydrophobicContact CD2-CD1 4.19Å; F388-L396 HydrophobicContact CE1-CD1 4.45Å; F388-L396 HydrophobicContact CZ-CD1 4.04Å; L390-L396 HydrophobicContact CD1-CD1 3.93Å; L390-L396 HydrophobicContact CD1-CD2 4.4Å; L390-L396 HydrophobicContact CD1-CG 4.12Å; L390-L396 HydrophobicContact CD2-CD1 3.9Å; A394-L396 PolarHBondContact O-N 3.42Å; L396-N398 VanDerWaalsContact C-N 3.31Å; L396-T401 HydrophobicContact CD1-CG2 4.35Å; L396-T401 HydrophobicContact CD2-CG2 4.24Å; L396-L417 HydrophobicContact CD2-CD1 4.3Å; L396-L417 HydrophobicContact CD2-CD2 4.06Å; L396-F511 CarbonylContact C-O 3.57Å; L396-F511 WeakPolarHBondContact CA-O 3.4Å
397	T	97.8	Very high	97.8	Very high	63 Å²	63	19 Å²	19	39%	0.387	10%	0.096	S	C	.	.			trans	-76.4	-24.4	174.3	57.3	0	0	0	0	112.1	V395 F511 G512	V395-T397 PolarHBondContact O-N 2.99Å; T397-F511 PolarHBondContact N-O 3.04Å; T397-F511 PolarHBondContact OG1-O 3.07Å; T397-G512 WeakPolarHBondContact OG1-CA 3.47Å
398	N	98.3	Very high	97.6	Very high	25 Å²	25	19.1 Å²	19.1	13%	0.134	10%	0.096	C	C	.	.			trans	-94.8	106.6	176.8	-172.8	-29.9	0	0	0	110.5	L396 Q400 T401 E510 F511	L396-N398 VanDerWaalsContact C-N 3.31Å; N398-Q400 PolarHBondContact O-N 3.44Å; N398-Q400 WeakPolarHBondContact OD1-CB 3.3Å; N398-Q400 PolarHBondContact OD1-N 2.99Å; N398-Q400 PolarHBondContact OD1-OE1 3.01Å; N398-Q400 VanDerWaalsContact OD1-OE1 3.14Å; N398-T401 WeakPolarHBondContact O-CB 3.5Å; N398-T401 PolarHBondContact O-N 3.37Å; N398-T401 PolarHBondContact O-OG1 2.76Å; N398-E510 VanDerWaalsContact CB-O 3.22Å; N398-E510 WeakPolarHBondContact CB-O 3.41Å; N398-E510 PolarHBondContact ND2-O 2.9Å; N398-F511 PolarHBondContact N-O 3.15Å
399	L	97.9	Very high	97.4	Very high	59 Å²	59	21.7 Å²	21.7	31%	0.309	11%	0.11	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-18.7	-176.3	-55.2	178.4	0	0	0	112.6	L319 D321 T401	L319-L399 HydrophobicContact CB-CD1 4.41Å; L319-L399 HydrophobicContact CB-CD2 4.11Å; L319-L399 WeakPolarHBondContact O-CD1 3.28Å; D321-L399 HydrophobicContact CB-CB 4.28Å; D321-L399 PolarHBondContact N-O 2.99Å; L399-T401 VanDerWaalsContact C-N 3.32Å
400	Q	97.5	Very high	97.2	Very high	79 Å²	79	23.1 Å²	23.1	37%	0.369	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	4.3	177.5	-65.9	75.2	29.3	0	0	113.7	D321 N398 L402 R403 I404	D321-Q400 HydrophobicContact CB-CG 4.23Å; D321-Q400 WeakPolarHBondContact OD2-CG 3.5Å; D321-Q400 PolarHBondContact OD2-NE2 2.87Å; N398-Q400 PolarHBondContact O-N 3.44Å; N398-Q400 WeakPolarHBondContact OD1-CB 3.3Å; N398-Q400 PolarHBondContact OD1-N 2.99Å; N398-Q400 PolarHBondContact OD1-OE1 3.01Å; N398-Q400 VanDerWaalsContact OD1-OE1 3.14Å; Q400-L402 VanDerWaalsContact C-N 3.33Å; Q400-L402 PolarHBondContact O-N 3.49Å; Q400-R403 PolarHBondContact O-N 3.05Å; Q400-R403 VanDerWaalsContact O-N 3.07Å; Q400-I404 HydrophobicContact CB-CD1 3.99Å; Q400-I404 HydrophobicContact CB-CG1 4.29Å; Q400-I404 WeakPolarHBondContact O-CG1 3.46Å; Q400-I404 PolarHBondContact O-N 3.12Å
401	T	98.4	Very high	97.2	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-47.7	-51.3	-175	-66.4	0	0	0	0	112.7	L396 N398 L399 R403 I404 L405 P415 F511	L396-T401 HydrophobicContact CD1-CG2 4.35Å; L396-T401 HydrophobicContact CD2-CG2 4.24Å; N398-T401 WeakPolarHBondContact O-CB 3.5Å; N398-T401 PolarHBondContact O-N 3.37Å; N398-T401 PolarHBondContact O-OG1 2.76Å; L399-T401 VanDerWaalsContact C-N 3.32Å; T401-R403 PolarHBondContact O-N 3.48Å; T401-I404 PolarHBondContact O-N 2.89Å; T401-L405 HydrophobicContact CG2-CD1 3.79Å; T401-L405 HydrophobicContact CG2-CG 4.29Å; T401-L405 VanDerWaalsContact O-CG 3.29Å; T401-L405 WeakPolarHBondContact O-CG 3.22Å; T401-L405 PolarHBondContact O-N 2.91Å; T401-P415 HydrophobicContact CG2-CB 4.07Å; T401-P415 HydrophobicContact CG2-CG 3.96Å; T401-F511 HydrophobicContact CG2-CD1 3.86Å; T401-F511 HydrophobicContact CG2-CE1 4.43Å
402	L	97.6	Very high	97.2	Very high	6 Å²	6	24 Å²	24	3%	0.031	12%	0.118	C	C	.	.	H	α-helix	trans	-60.3	-43	-178	179.4	55.3	0	0	0	112.5	V297 Y322 F388 Q400 L405 I406 V465	V297-L402 HydrophobicContact CB-CD2 4.45Å; V297-L402 HydrophobicContact CG1-CD1 4.16Å; V297-L402 HydrophobicContact CG1-CD2 4.11Å; V297-L402 HydrophobicContact CG2-CD1 4.44Å; V297-L402 HydrophobicContact CG2-CD2 4.22Å; Y322-L402 HydrophobicContact CD1-CD2 4.04Å; Y322-L402 HydrophobicContact CD2-CB 4.42Å; Y322-L402 HydrophobicContact CD2-CD2 3.83Å; Y322-L402 HydrophobicContact CD2-CG 3.91Å; Y322-L402 HydrophobicContact CE1-CD2 4.45Å; Y322-L402 HydrophobicContact CE2-CD2 4.28Å; Y322-L402 HydrophobicContact CE2-CG 4.17Å; Y322-L402 HydrophobicContact CG-CD2 3.69Å; Y322-L402 HydrophobicContact CG-CG 4.29Å; F388-L402 HydrophobicContact CB-CD1 4.13Å; F388-L402 HydrophobicContact CD1-CB 4.46Å; F388-L402 HydrophobicContact CD1-CD1 3.75Å; F388-L402 HydrophobicContact CD1-CD2 4.23Å; F388-L402 HydrophobicContact CD1-CG 4.37Å; F388-L402 HydrophobicContact CE1-CB 4.35Å; F388-L402 HydrophobicContact CE1-CD1 4.37Å; F388-L402 HydrophobicContact CG-CD1 3.98Å; Q400-L402 VanDerWaalsContact C-N 3.33Å; Q400-L402 PolarHBondContact O-N 3.49Å; L402-L405 PolarHBondContact O-N 2.73Å; L402-I406 HydrophobicContact CD1-CD1 3.78Å; L402-I406 HydrophobicContact CD1-CG1 4.22Å; L402-I406 HydrophobicContact CG-CD1 4.01Å; L402-I406 WeakPolarHBondContact O-CG1 3.34Å; L402-I406 PolarHBondContact O-N 2.61Å; L402-I406 VanDerWaalsContact O-N 3.08Å; L402-V465 HydrophobicContact CD1-CG2 3.94Å
403	R	95.9	Very high	97.2	Very high	60 Å²	60	24 Å²	24	23%	0.226	12%	0.118	C	C	.	.	H	α-helix	trans	-61.9	-50.2	176.4	-65.4	-176.4	-175.4	-91	4.5	111.3	L288 D321 Y322 Q400 T401 L405 I406 E407	L288-R403 HydrophobicContact CD1-CB 4.19Å; L288-R403 HydrophobicContact CD1-CG 4.37Å; D321-R403 WeakPolarHBondContact O-CD 3.33Å; D321-R403 WeakPolarHBondContact O-CG 3.44Å; D321-R403 PolarHBondContact O-NE 2.86Å; D321-R403 IonicContact OD1-CZ 2.68Å; D321-R403 IonicContact OD1-NE 3.08Å; D321-R403 PolarHBondContact OD1-NE 3.17Å; D321-R403 IonicContact OD1-NH2 2.86Å; D321-R403 PolarHBondContact OD1-NH2 3.2Å; Y322-R403 HydrophobicContact CD2-CG 3.74Å; Y322-R403 HydrophobicContact CE2-CG 4.21Å; Q400-R403 PolarHBondContact O-N 3.05Å; Q400-R403 VanDerWaalsContact O-N 3.07Å; T401-R403 PolarHBondContact O-N 3.48Å; R403-L405 VanDerWaalsContact C-N 3.28Å; R403-L405 PolarHBondContact O-N 3.32Å; R403-I406 PolarHBondContact O-N 2.83Å; R403-E407 VanDerWaalsContact O-CG 3.29Å; R403-E407 WeakPolarHBondContact O-CG 3.19Å; R403-E407 PolarHBondContact O-N 3.04Å
404	I	95.9	Very high	97.2	Very high	18 Å²	18	23.4 Å²	23.4	9%	0.092	12%	0.115	C	C	.	.	H	α-helix	trans	-56.8	-45.1	-177.9	-65.7	165.7	0	0	0	110.2	Q400 T401 E407 E408 F511	Q400-I404 HydrophobicContact CB-CD1 3.99Å; Q400-I404 HydrophobicContact CB-CG1 4.29Å; Q400-I404 WeakPolarHBondContact O-CG1 3.46Å; Q400-I404 PolarHBondContact O-N 3.12Å; T401-I404 PolarHBondContact O-N 2.89Å; I404-E407 PolarHBondContact O-N 2.88Å; I404-E408 PolarHBondContact O-N 2.79Å; I404-F511 HydrophobicContact CB-CE1 4.15Å; I404-F511 HydrophobicContact CD1-CE1 4.1Å; I404-F511 HydrophobicContact CG2-CE1 3.8Å; I404-F511 HydrophobicContact CG2-CZ 3.89Å
405	L	97.2	Very high	97.2	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.005	12%	0.115	C	C	.	.	H	α-helix	trans	-68.6	-37.5	-179.4	-64.7	178.5	0	0	0	113	T401 L402 R403 E408 I413 P415 V465 F511	T401-L405 HydrophobicContact CG2-CD1 3.79Å; T401-L405 HydrophobicContact CG2-CG 4.29Å; T401-L405 VanDerWaalsContact O-CG 3.29Å; T401-L405 WeakPolarHBondContact O-CG 3.22Å; T401-L405 PolarHBondContact O-N 2.91Å; L402-L405 PolarHBondContact O-N 2.73Å; R403-L405 VanDerWaalsContact C-N 3.28Å; R403-L405 PolarHBondContact O-N 3.32Å; L405-E408 PolarHBondContact O-N 2.97Å; L405-I413 HydrophobicContact CB-CG2 3.99Å; L405-I413 HydrophobicContact CD2-CD1 4.07Å; L405-I413 HydrophobicContact CD2-CG1 4.01Å; L405-I413 HydrophobicContact CD2-CG2 4.17Å; L405-P415 HydrophobicContact CD1-CB 4.21Å; L405-P415 HydrophobicContact CD1-CG 3.9Å; L405-P415 HydrophobicContact CD2-CB 4.34Å; L405-V465 HydrophobicContact CB-CB 4.32Å; L405-V465 HydrophobicContact CB-CG2 3.91Å; L405-V465 HydrophobicContact CD1-CG2 3.79Å; L405-F511 HydrophobicContact CD2-CZ 4.41Å
406	I	96.3	Very high	97.2	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.005	12%	0.116	C	C	.	.	H	α-helix	trans	-65.8	-41.1	174.5	-72.1	170.8	0	0	0	111	L288 P295 V297 Y322 F386 L402 R403 E408 N409 V465	L288-I406 HydrophobicContact CD2-CG2 4.03Å; P295-I406 HydrophobicContact CG-CG2 4.18Å; V297-I406 HydrophobicContact CG2-CD1 3.89Å; Y322-I406 HydrophobicContact CE2-CD1 3.86Å; F386-I406 HydrophobicContact CD1-CG1 4.35Å; F386-I406 HydrophobicContact CD2-CD1 4.16Å; F386-I406 HydrophobicContact CD2-CG1 4.11Å; F386-I406 HydrophobicContact CD2-CG2 4.38Å; F386-I406 HydrophobicContact CE1-CG1 4.48Å; F386-I406 HydrophobicContact CE2-CG1 4.26Å; F386-I406 HydrophobicContact CE2-CG2 3.77Å; F386-I406 HydrophobicContact CG-CD1 4.41Å; F386-I406 HydrophobicContact CG-CG1 4.15Å; F386-I406 HydrophobicContact CZ-CG1 4.44Å; F386-I406 HydrophobicContact CZ-CG2 3.94Å; L402-I406 HydrophobicContact CD1-CD1 3.78Å; L402-I406 HydrophobicContact CD1-CG1 4.22Å; L402-I406 HydrophobicContact CG-CD1 4.01Å; L402-I406 WeakPolarHBondContact O-CG1 3.34Å; L402-I406 PolarHBondContact O-N 2.61Å; L402-I406 VanDerWaalsContact O-N 3.08Å; R403-I406 PolarHBondContact O-N 2.83Å; I406-E408 PolarHBondContact O-N 2.93Å; I406-N409 PolarHBondContact O-N 2.57Å; I406-N409 VanDerWaalsContact O-N 3.1Å; I406-V465 HydrophobicContact CG1-CG1 4.37Å
407	E	94.4	Very high	97.2	Very high	45 Å²	45	23.5 Å²	23.5	21%	0.21	12%	0.115	C	C	.	.	H	α-helix	trans	-64.3	-26.8	179.3	-72.6	179.1	-170.8	0	0	113.1	R285 R286 L288 R403 I404 N409	R285-E407 CarbonylContact C-O 3.52Å; R285-E407 WeakPolarHBondContact CA-O 3.4Å; R285-E407 WeakPolarHBondContact CB-O 3.5Å; R285-E407 IonicContact CZ-OE2 3.83Å; R285-E407 IonicContact NH2-OE2 3.9Å; R285-E407 PolarHBondContact NH2-OE2 3.41Å; R286-E407 PolarHBondContact N-O 2.95Å; R286-E407 WeakPolarHBondContact O-CG 3.34Å; L288-E407 HydrophobicContact CD1-CG 3.79Å; L288-E407 HydrophobicContact CG-CG 3.86Å; R403-E407 VanDerWaalsContact O-CG 3.29Å; R403-E407 WeakPolarHBondContact O-CG 3.19Å; R403-E407 PolarHBondContact O-N 3.04Å; I404-E407 PolarHBondContact O-N 2.88Å; E407-N409 PolarHBondContact O-N 3.18Å
408	E	93.6	Very high	97.2	Very high	1 Å²	1	21.6 Å²	21.6	1%	0.005	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-13.3	174.4	-75.6	-67	158.3	0	0	113.5	I404 L405 I406 R410 I413 Q508	I404-E408 PolarHBondContact O-N 2.79Å; L405-E408 PolarHBondContact O-N 2.97Å; I406-E408 PolarHBondContact O-N 2.93Å; E408-R410 VanDerWaalsContact C-N 3.27Å; E408-R410 HydrophobicContact CB-CG 4.24Å; E408-R410 WeakPolarHBondContact O-CD 3.16Å; E408-R410 PolarHBondContact O-N 2.94Å; E408-R410 VanDerWaalsContact O-N 3.16Å; E408-R410 PolarHBondContact O-NE 3Å; E408-R410 PolarHBondContact O-NH1 3.35Å; E408-R410 IonicContact OE2-CZ 3.88Å; E408-R410 IonicContact OE2-NE 3.51Å; E408-R410 IonicContact OE2-NH2 2.74Å; E408-R410 PolarHBondContact OE2-NH2 3Å; E408-I413 HydrophobicContact CB-CD1 3.57Å; E408-I413 HydrophobicContact CG-CD1 3.74Å; E408-Q508 PolarHBondContact OE1-NE2 3.03Å
409	N	94.5	Very high	97.1	Very high	56 Å²	56	22.9 Å²	22.9	30%	0.299	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.5	41.2	171.3	-168.6	23	0	0	0	113.9	D284 R286 I406 E407 R467	D284-N409 VanDerWaalsContact O-CB 3.28Å; D284-N409 WeakPolarHBondContact O-CB 3.42Å; D284-N409 PolarHBondContact O-ND2 3.41Å; R286-N409 HydrophobicContact CB-CB 4.11Å; I406-N409 PolarHBondContact O-N 2.57Å; I406-N409 VanDerWaalsContact O-N 3.1Å; E407-N409 PolarHBondContact O-N 3.18Å; N409-R467 VanDerWaalsContact C-NH2 3.35Å; N409-R467 PolarHBondContact O-NH2 2.81Å; N409-R467 PolarHBondContact OD1-NH2 3.3Å
410	R	95.3	Very high	96.9	Very high	30 Å²	30	25.6 Å²	25.6	11%	0.113	12%	0.118	C	C	.	.			trans	-94.9	166.1	174.5	-52.8	-55.6	173.8	-124.7	-11	110.9	F280 E408 I413 R467 H504	F280-R410 PolarHBondContact O-NH2 2.79Å; E408-R410 VanDerWaalsContact C-N 3.27Å; E408-R410 HydrophobicContact CB-CG 4.24Å; E408-R410 WeakPolarHBondContact O-CD 3.16Å; E408-R410 PolarHBondContact O-N 2.94Å; E408-R410 VanDerWaalsContact O-N 3.16Å; E408-R410 PolarHBondContact O-NE 3Å; E408-R410 PolarHBondContact O-NH1 3.35Å; E408-R410 IonicContact OE2-CZ 3.88Å; E408-R410 IonicContact OE2-NE 3.51Å; E408-R410 IonicContact OE2-NH2 2.74Å; E408-R410 PolarHBondContact OE2-NH2 3Å; R410-I413 HydrophobicContact CB-CB 4.1Å; R410-I413 HydrophobicContact CB-CG2 4.46Å; R410-I413 HydrophobicContact CG-CB 4.31Å; R410-I413 HydrophobicContact CG-CD1 4.05Å; R410-R467 PolarHBondContact O-NH2 3Å; R410-H504 HydrophobicContact CG-CB 4.31Å
411	K	97.6	Very high	96.6	Very high	32 Å²	32	25.7 Å²	25.7	14%	0.139	14%	0.14	C	C	.	.	S	Bend	trans	-73	-46.8	170	-67.7	-172.3	-178.2	-177.5	0	110.9	E49 I466 R467 T470 E474 I501	E49-K411 HydrophobicContact CG-CD 4.31Å; K411-I466 CarbonylContact O-C 3.53Å; K411-I466 WeakPolarHBondContact O-CA 3.49Å; K411-R467 PolarHBondContact O-N 3.48Å; K411-T470 HydrophobicContact CB-CG2 4.35Å; K411-T470 HydrophobicContact CD-CG2 4.37Å; K411-E474 WeakPolarHBondContact CD-OE1 3.44Å; K411-E474 WeakPolarHBondContact CE-OE1 3.25Å; K411-E474 IonicContact NZ-OE1 3.27Å; K411-E474 PolarHBondContact NZ-OE1 3.03Å; K411-E474 IonicContact NZ-OE2 3.63Å; K411-E474 PolarHBondContact NZ-OE2 3.19Å; K411-I501 HydrophobicContact CB-CG2 4.02Å; K411-I501 HydrophobicContact CD-CG2 4.07Å
412	V	98.8	Very high	96.5	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	132.1	174.6	-174.6	0	0	0	0	109.2	I460 V465 I466 F496 I501 L503 H504	V412-I460 HydrophobicContact CG1-CD1 3.55Å; V412-V465 WeakPolarHBondContact CA-O 3.21Å; V412-I466 HydrophobicContact CG1-CG1 4.08Å; V412-I466 HydrophobicContact CG2-CG1 4.19Å; V412-I466 HydrophobicContact CG2-CG2 4.24Å; V412-F496 HydrophobicContact CG2-CD1 3.48Å; V412-F496 VanDerWaalsContact CG2-CD1 3.48Å; V412-F496 HydrophobicContact CG2-CE1 3.23Å; V412-F496 HydrophobicContact CG2-CG 4.48Å; V412-F496 HydrophobicContact CG2-CZ 4.09Å; V412-I501 HydrophobicContact CG2-CG2 4.09Å; V412-L503 HydrophobicContact CB-CD2 4.16Å; V412-L503 HydrophobicContact CG1-CD2 3.78Å; V412-L503 HydrophobicContact CG2-CD2 4.37Å; V412-H504 VanDerWaalsContact O-CB 3.3Å; V412-H504 WeakPolarHBondContact O-CB 3.21Å; V412-H504 PolarHBondContact O-N 2.9Å; V412-H504 PolarHBondContact O-ND1 3.42Å; V412-H504 VanDerWaalsContact O-ND1 3.11Å
413	I	98.8	Very high	96.4	Very high	3 Å²	3	33.8 Å²	33.8	2%	0.015	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	134.9	175.5	-169	172.1	0	0	0	112.6	L405 E408 R410 V454 Y464 V465 H504	L405-I413 HydrophobicContact CB-CG2 3.99Å; L405-I413 HydrophobicContact CD2-CD1 4.07Å; L405-I413 HydrophobicContact CD2-CG1 4.01Å; L405-I413 HydrophobicContact CD2-CG2 4.17Å; E408-I413 HydrophobicContact CB-CD1 3.57Å; E408-I413 HydrophobicContact CG-CD1 3.74Å; R410-I413 HydrophobicContact CB-CB 4.1Å; R410-I413 HydrophobicContact CB-CG2 4.46Å; R410-I413 HydrophobicContact CG-CB 4.31Å; R410-I413 HydrophobicContact CG-CD1 4.05Å; I413-V454 HydrophobicContact CD1-CG1 4.37Å; I413-Y464 CarbonylContact O-C 3.1Å; I413-Y464 WeakPolarHBondContact O-CA 3.5Å; I413-V465 HydrophobicContact CG2-CB 4.26Å; I413-V465 PolarHBondContact N-O 3.01Å; I413-V465 PolarHBondContact O-N 3.25Å; I413-H504 CarbonylContact C-O 3.59Å; I413-H504 VanDerWaalsContact CA-O 3.29Å; I413-H504 WeakPolarHBondContact CA-O 3.27Å; I413-H504 HydrophobicContact CB-CB 4.09Å; I413-H504 HydrophobicContact CD1-CB 4.46Å; I413-H504 HydrophobicContact CG1-CB 3.91Å
414	A	98.9	Very high	96.4	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	143.3	172.9	0	0	0	0	0	111.6	I460 A463 H504 L505 S506	A414-I460 HydrophobicContact CB-CB 3.89Å; A414-I460 HydrophobicContact CB-CD1 4.01Å; A414-I460 HydrophobicContact CB-CG1 4.49Å; A414-I460 HydrophobicContact CB-CG2 3.92Å; A414-A463 WeakPolarHBondContact CA-O 3.24Å; A414-A463 WeakPolarHBondContact CB-O 3.32Å; A414-H504 PolarHBondContact N-O 2.76Å; A414-L505 HydrophobicContact CB-CD1 3.97Å; A414-L505 CarbonylContact O-C 3.51Å; A414-L505 WeakPolarHBondContact O-CA 3.45Å; A414-S506 PolarHBondContact O-N 3.3Å
415	P	98.8	Very high	96.5	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	139.1	161	31.6	-26.1	0	0	0	109.6	T401 L405 L417 N426 A463 F511	T401-P415 HydrophobicContact CG2-CB 4.07Å; T401-P415 HydrophobicContact CG2-CG 3.96Å; L405-P415 HydrophobicContact CD1-CB 4.21Å; L405-P415 HydrophobicContact CD1-CG 3.9Å; L405-P415 HydrophobicContact CD2-CB 4.34Å; P415-L417 PolarHBondContact O-N 3.16Å; P415-N426 PolarHBondContact O-ND2 3.17Å; P415-N426 PolarHBondContact O-OD1 3.26Å; P415-A463 VanDerWaalsContact CD-O 3.27Å; P415-A463 WeakPolarHBondContact CD-O 3.44Å; P415-A463 HydrophobicContact CG-CB 3.88Å; P415-F511 HydrophobicContact CB-CB 3.6Å; P415-F511 HydrophobicContact CB-CD1 3.78Å; P415-F511 HydrophobicContact CB-CD2 3.55Å; P415-F511 HydrophobicContact CB-CE1 4.3Å; P415-F511 HydrophobicContact CB-CE2 4.11Å; P415-F511 HydrophobicContact CB-CG 3.35Å; P415-F511 HydrophobicContact CB-CZ 4.44Å
416	M	98.8	Very high	96.5	Very high	14 Å²	14	38 Å²	38	7%	0.069	19%	0.194	C	C	.	.			trans	-73.1	117.3	174	-170.1	-172.3	81.5	0	0	110.1	F427 L446 V447 R449 L505 S506 N507	M416-F427 HydrophobicContact CG-CD1 4.27Å; M416-F427 HydrophobicContact CG-CE1 4.06Å; M416-F427 HydrophobicContact SD-CE1 4.05Å; M416-L446 VanDerWaalsContact SD-O 3.4Å; M416-V447 WeakPolarHBondContact CE-O 3.35Å; M416-R449 HydrophobicContact CE-CG 3.74Å; M416-L505 HydrophobicContact CB-CD1 4.07Å; M416-L505 HydrophobicContact CB-CD2 4.28Å; M416-L505 HydrophobicContact CB-CG 4.15Å; M416-L505 HydrophobicContact CG-CD2 4.21Å; M416-S506 VanDerWaalsContact CB-O 3.32Å; M416-S506 WeakPolarHBondContact CB-O 3.38Å; M416-S506 PolarHBondContact N-O 2.79Å; M416-N507 HydrophobicContact CB-CB 3.8Å; M416-N507 HydrophobicContact CE-CB 3.78Å; M416-N507 HydrophobicContact CG-CB 4.29Å; M416-N507 HydrophobicContact SD-CB 3.52Å; M416-N507 VanDerWaalsContact SD-CB 3.52Å
417	L	98.8	Very high	96.6	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.194	C	C	.	.			trans	-116.8	134.9	174.6	-55	177.6	0	0	0	108.6	A394 L396 P415 S425 N426 A463 F511 L514	A394-L417 HydrophobicContact CB-CD1 3.65Å; L396-L417 HydrophobicContact CD2-CD1 4.3Å; L396-L417 HydrophobicContact CD2-CD2 4.06Å; P415-L417 PolarHBondContact O-N 3.16Å; L417-S425 WeakPolarHBondContact O-CA 3.39Å; L417-S425 WeakPolarHBondContact O-CB 3.4Å; L417-N426 HydrophobicContact CB-CB 4.49Å; L417-N426 PolarHBondContact N-OD1 3.3Å; L417-N426 PolarHBondContact O-N 3.03Å; L417-N426 VanDerWaalsContact O-N 3.09Å; L417-N426 PolarHBondContact O-OD1 3.44Å; L417-A463 HydrophobicContact CD1-CB 3.91Å; L417-F511 HydrophobicContact CD2-CB 3.98Å; L417-L514 HydrophobicContact CB-CD2 3.8Å; L417-L514 HydrophobicContact CB-CG 3.8Å; L417-L514 HydrophobicContact CD1-CD2 4.02Å
418	S	97.8	Very high	96.8	Very high	23 Å²	23	37.6 Å²	37.6	16%	0.161	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	145.8	-179.4	-59.7	0	0	0	0	110.8	S425 R513 L514	S418-S425 WeakPolarHBondContact OG-CB 3.45Å; S418-R513 VanDerWaalsContact O-CA 3.25Å; S418-R513 WeakPolarHBondContact O-CA 3.24Å; S418-R513 WeakPolarHBondContact O-CB 3.28Å; S418-L514 PolarHBondContact O-N 2.99Å; S418-L514 VanDerWaalsContact O-N 3.08Å
419	R	96.4	Very high	97	Very high	52 Å²	52	38.1 Å²	38.1	20%	0.196	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	133.5	172.4	-173.7	171.7	-69.9	154.7	0.9	109.3	G421 K422 W424 L515	R419-G421 PolarHBondContact O-N 2.9Å; R419-K422 HydrophobicContact CB-CB 4.37Å; R419-K422 HydrophobicContact CG-CD 4.27Å; R419-K422 PolarHBondContact O-N 3.08Å; R419-W424 PolarHBondContact N-O 3.4Å; R419-L515 PolarHBondContact NE-O 3.4Å; R419-L515 PolarHBondContact NH2-O 3.35Å; R419-L515 VanDerWaalsContact NH2-O 3.17Å
420	H	93.7	Very high	97.1	Very high	117 Å²	117	36.8 Å²	36.8	54%	0.542	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	129.9	-173.5	-175.5	74.3	0	0	0	112.2	K422 V537	H420-K422 PolarHBondContact O-N 2.96Å; H420-K422 VanDerWaalsContact O-N 3.16Å; H420-V537 HydrophobicContact CB-CG2 4.43Å
421	G	92	Very high	97.1	Very high	81 Å²	81	36.6 Å²	36.6	84%	0.835	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.7	8.9	179	0	0	0	0	0	115.8	R419	R419-G421 PolarHBondContact O-N 2.9Å
422	K	94.8	Very high	96.8	Very high	120 Å²	120	36.6 Å²	36.6	52%	0.522	20%	0.198	S	C	.	.	S	Bend	trans	-127.5	165.9	-177.3	-62.5	-177.8	-174.5	178.1	0	111	R419 H420	R419-K422 HydrophobicContact CB-CB 4.37Å; R419-K422 HydrophobicContact CG-CD 4.27Å; R419-K422 PolarHBondContact O-N 3.08Å; H420-K422 PolarHBondContact O-N 2.96Å; H420-K422 VanDerWaalsContact O-N 3.16Å
423	L	96.1	Very high	96.4	Very high	55 Å²	55	42.9 Å²	42.9	29%	0.288	24%	0.239	S	C	.	.	S	Bend	trans	-86	-16.9	176.8	-66.4	177.1	0	0	0	113.6	S425 Y443 V444 V447 Q448	L423-S425 PolarHBondContact O-N 3.45Å; L423-Y443 HydrophobicContact CB-CE1 4.4Å; L423-Y443 PolarHBondContact O-OH 3.45Å; L423-Y443 VanDerWaalsContact O-OH 3.04Å; L423-V444 HydrophobicContact CD1-CG2 4.08Å; L423-V444 HydrophobicContact CD2-CG1 4.18Å; L423-V447 HydrophobicContact CD2-CB 4.47Å; L423-V447 HydrophobicContact CD2-CG1 4.1Å; L423-Q448 HydrophobicContact CD2-CG 4.47Å
424	W	95.6	Very high	96	Very high	155 Å²	155	49 Å²	49	59%	0.587	27%	0.272	S	S	*	.			trans	-61	126.5	178.4	-72.3	101.3	0	0	0	110.4	R419	R419-W424 PolarHBondContact N-O 3.4Å
425	S	97.7	Very high	95.6	Very high	13 Å²	13	52.7 Å²	52.7	9%	0.091	29%	0.289	C	S	.	.	B	Isolated β-bridge	trans	-147	169.5	-175.2	54.9	0	0	0	0	110.9	L417 S418 L423 F427 Y443	L417-S425 WeakPolarHBondContact O-CA 3.39Å; L417-S425 WeakPolarHBondContact O-CB 3.4Å; S418-S425 WeakPolarHBondContact OG-CB 3.45Å; L423-S425 PolarHBondContact O-N 3.45Å; S425-F427 PolarHBondContact O-N 3.01Å; S425-F427 VanDerWaalsContact OG-CD1 3.3Å; S425-F427 WeakPolarHBondContact OG-CD1 3.45Å; S425-F427 WeakPolarHBondContact OG-CE1 3.39Å; S425-Y443 PolarHBondContact OG-OH 3.22Å
426	N	98.6	Very high	95.4	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	32%	0.315	C	S	.	.	S	Bend	trans	-79.9	30.4	-173.6	71.4	-39	0	0	0	114.8	P415 L417 I460 S461 Q462 L514	P415-N426 PolarHBondContact O-ND2 3.17Å; P415-N426 PolarHBondContact O-OD1 3.26Å; L417-N426 HydrophobicContact CB-CB 4.49Å; L417-N426 PolarHBondContact N-OD1 3.3Å; L417-N426 PolarHBondContact O-N 3.03Å; L417-N426 VanDerWaalsContact O-N 3.09Å; L417-N426 PolarHBondContact O-OD1 3.44Å; N426-I460 CarbonylContact O-C 3.31Å; N426-I460 WeakPolarHBondContact O-CA 3.44Å; N426-S461 WeakPolarHBondContact CB-O 3.43Å; N426-S461 PolarHBondContact ND2-O 3Å; N426-S461 VanDerWaalsContact ND2-O 3.08Å; N426-S461 PolarHBondContact O-N 2.57Å; N426-S461 PolarHBondContact O-OG 3.48Å; N426-Q462 HydrophobicContact CB-CB 4.25Å; N426-L514 HydrophobicContact CB-CD1 4.11Å
427	F	98.8	Very high	95.1	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	156.9	178.2	82.6	-80.4	0	0	0	111.7	M416 S425 Y443 L446 V447 V457 Y459 I460 L505	M416-F427 HydrophobicContact CG-CD1 4.27Å; M416-F427 HydrophobicContact CG-CE1 4.06Å; M416-F427 HydrophobicContact SD-CE1 4.05Å; S425-F427 PolarHBondContact O-N 3.01Å; S425-F427 VanDerWaalsContact OG-CD1 3.3Å; S425-F427 WeakPolarHBondContact OG-CD1 3.45Å; S425-F427 WeakPolarHBondContact OG-CE1 3.39Å; F427-Y443 HydrophobicContact CD1-CE2 4.36Å; F427-Y443 HydrophobicContact CD2-CD2 4.47Å; F427-Y443 HydrophobicContact CD2-CE2 4.24Å; F427-Y443 HydrophobicContact CE1-CD2 4.38Å; F427-Y443 AromaticContact CE1-CE2 3.85Å; F427-Y443 HydrophobicContact CE1-CE2 3.85Å; F427-Y443 AromaticContact CE2-CD2 3.63Å; F427-Y443 HydrophobicContact CE2-CD2 3.63Å; F427-Y443 AromaticContact CE2-CE2 3.71Å; F427-Y443 HydrophobicContact CE2-CE2 3.71Å; F427-Y443 AromaticContact CZ-CD2 3.58Å; F427-Y443 HydrophobicContact CZ-CD2 3.58Å; F427-Y443 AromaticContact CZ-CE2 3.5Å; F427-Y443 HydrophobicContact CZ-CE2 3.5Å; F427-Y443 VanDerWaalsContact CZ-CE2 3.5Å; F427-L446 HydrophobicContact CE2-CD1 4.18Å; F427-L446 HydrophobicContact CZ-CB 4.03Å; F427-L446 HydrophobicContact CZ-CD1 4.32Å; F427-V447 HydrophobicContact CE1-CG2 3.79Å; F427-V447 HydrophobicContact CZ-CG2 4.01Å; F427-V457 HydrophobicContact CB-CG2 4.48Å; F427-V457 HydrophobicContact CD2-CB 4.37Å; F427-V457 HydrophobicContact CD2-CG1 4.01Å; F427-V457 HydrophobicContact CE2-CG1 4.37Å; F427-Y459 VanDerWaalsContact CA-O 3.25Å; F427-Y459 WeakPolarHBondContact CA-O 3.24Å; F427-Y459 WeakPolarHBondContact CB-O 3.46Å; F427-I460 HydrophobicContact CB-CG2 4.39Å; F427-L505 HydrophobicContact CB-CD1 3.94Å; F427-L505 HydrophobicContact CB-CD2 3.97Å; F427-L505 HydrophobicContact CB-CG 4.49Å; F427-L505 HydrophobicContact CD1-CD1 4.26Å; F427-L505 HydrophobicContact CD1-CD2 3.4Å; F427-L505 VanDerWaalsContact CD1-CD2 3.4Å; F427-L505 HydrophobicContact CD1-CG 4.46Å; F427-L505 HydrophobicContact CD2-CD2 3.58Å; F427-L505 HydrophobicContact CE1-CD2 3.65Å; F427-L505 HydrophobicContact CE2-CD2 3.82Å; F427-L505 HydrophobicContact CG-CD1 4.21Å; F427-L505 HydrophobicContact CG-CD2 3.36Å; F427-L505 HydrophobicContact CG-CG 4.35Å; F427-L505 HydrophobicContact CZ-CD2 3.85Å
428	W	98.5	Very high	94.8	Very high	37 Å²	37	63.6 Å²	63.6	14%	0.14	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	136.1	167.9	-51.1	-17.9	0	0	0	109.6	L431 Y437 P458 Y459 M490	W428-L431 HydrophobicContact CE3-CD2 3.57Å; W428-L431 HydrophobicContact CZ3-CD2 4Å; W428-Y437 HydrophobicContact CB-CD2 4.16Å; W428-Y437 AromaticContact CD1-CD2 3.56Å; W428-Y437 AromaticContact CD2-CD2 3.9Å; W428-Y437 HydrophobicContact CD2-CD2 3.9Å; W428-Y437 HydrophobicContact CD2-CG 4.45Å; W428-Y437 AromaticContact CG-CD2 3.63Å; W428-Y437 HydrophobicContact CG-CD2 3.63Å; W428-Y437 HydrophobicContact CG-CE2 4.4Å; W428-Y437 AromaticContact NE1-CD2 3.82Å; W428-P458 WeakPolarHBondContact O-CD 3.21Å; W428-P458 WeakPolarHBondContact O-CG 3.34Å; W428-Y459 HydrophobicContact CB-CD1 4.31Å; W428-Y459 HydrophobicContact CB-CG 4.41Å; W428-Y459 AromaticContact CD1-CD1 3.64Å; W428-Y459 AromaticContact CD2-CD1 3.69Å; W428-Y459 HydrophobicContact CD2-CD1 3.69Å; W428-Y459 HydrophobicContact CD2-CD2 4.23Å; W428-Y459 HydrophobicContact CD2-CE1 4.25Å; W428-Y459 AromaticContact CD2-CG 3.69Å; W428-Y459 HydrophobicContact CD2-CG 3.69Å; W428-Y459 AromaticContact CE2-CD1 3.8Å; W428-Y459 AromaticContact CE2-CE1 3.86Å; W428-Y459 HydrophobicContact CE3-CD1 4.37Å; W428-Y459 HydrophobicContact CE3-CD2 4.12Å; W428-Y459 AromaticContact CE3-CG 3.89Å; W428-Y459 HydrophobicContact CE3-CG 3.89Å; W428-Y459 AromaticContact CG-CD1 3.62Å; W428-Y459 HydrophobicContact CG-CD1 3.62Å; W428-Y459 HydrophobicContact CG-CE1 4.38Å; W428-Y459 AromaticContact CG-CG 3.92Å; W428-Y459 HydrophobicContact CG-CG 3.92Å; W428-Y459 HydrophobicContact CH2-CD2 4.47Å; W428-Y459 HydrophobicContact CH2-CE2 4.43Å; W428-Y459 HydrophobicContact CZ2-CE1 4.33Å; W428-Y459 HydrophobicContact CZ2-CE2 4.34Å; W428-Y459 HydrophobicContact CZ3-CD2 4.25Å; W428-Y459 HydrophobicContact CZ3-CG 4.47Å; W428-Y459 PolarHBondContact N-O 2.8Å; W428-Y459 VanDerWaalsContact N-O 3.11Å; W428-Y459 AromaticContact NE1-CD1 3.7Å; W428-Y459 AromaticContact NE1-CE1 3.68Å; W428-M490 HydrophobicContact CH2-CE 4.34Å; W428-M490 HydrophobicContact CH2-CG 3.96Å; W428-M490 HydrophobicContact CH2-SD 3.82Å; W428-M490 HydrophobicContact CZ3-CE 4.38Å; W428-M490 HydrophobicContact CZ3-CG 4.41Å; W428-M490 HydrophobicContact CZ3-SD 4.41Å
429	G	96.7	Very high	94.7	Very high	13 Å²	13	69.6 Å²	69.6	13%	0.134	36%	0.356	C	S	.	.	S	Bend	trans	-81.5	-20.5	177.6	0	0	0	0	0	114	S440	G429-S440 WeakPolarHBondContact CA-OG 3.21Å
430	A	96.4	Very high	94.6	Very high	27 Å²	27	67.7 Å²	67.7	22%	0.223	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	164.6	-178.4	0	0	0	0	0	111.2	A438	A430-A438 CarbonylContact C-O 3.53Å; A430-A438 HydrophobicContact CB-CB 4.05Å; A430-A438 PolarHBondContact N-O 3.09Å; A430-A438 PolarHBondContact O-N 3.5Å
431	L	95	Very high	94.6	Very high	26 Å²	26	68.9 Å²	68.9	14%	0.136	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	147.4	170.6	-60.6	-176.3	0	0	0	110.5	L259 W428 E435 Y436 P458	L259-L431 HydrophobicContact CD1-CD1 3.6Å; L259-L431 HydrophobicContact CD1-CG 4.12Å; W428-L431 HydrophobicContact CE3-CD2 3.57Å; W428-L431 HydrophobicContact CZ3-CD2 4Å; L431-E435 HydrophobicContact CD1-CB 4.34Å; L431-Y436 CarbonylContact C-O 3.58Å; L431-Y436 VanDerWaalsContact CA-O 3.31Å; L431-Y436 WeakPolarHBondContact CA-O 3.19Å; L431-P458 HydrophobicContact CD1-CB 4.05Å; L431-P458 HydrophobicContact CD2-CB 4.17Å; L431-P458 HydrophobicContact CD2-CG 4.31Å; L431-P458 HydrophobicContact CG-CB 3.77Å; L431-P458 HydrophobicContact CG-CG 4.09Å
432	S	93.1	Very high	94.9	Very high	32 Å²	32	65.3 Å²	65.3	22%	0.224	32%	0.318	C	S	.	.			trans	-70.4	168.2	165.4	75.5	0	0	0	0	110.3	D434 E435 Y436	S432-D434 PolarHBondContact O-N 2.73Å; S432-D434 VanDerWaalsContact O-N 3.16Å; S432-D434 PolarHBondContact OG-N 3.22Å; S432-E435 PolarHBondContact O-N 3.44Å; S432-Y436 PolarHBondContact N-O 3.25Å; S432-Y436 PolarHBondContact OG-N 3Å; S432-Y436 VanDerWaalsContact OG-N 3.16Å
433	P	89.4	Confident	95	Very high	133 Å²	133	59.8 Å²	59.8	86%	0.864	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-26.1	172.6	-26.8	36.6	0	0	0	114.2	E435	P433-E435 VanDerWaalsContact C-N 3.25Å; P433-E435 PolarHBondContact O-N 2.8Å
434	D	89.4	Confident	95.1	Very high	131 Å²	131	58.9 Å²	58.9	70%	0.701	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	9.9	176.6	-54.9	-48	0	0	0	112.9	S432 Y436	S432-D434 PolarHBondContact O-N 2.73Å; S432-D434 VanDerWaalsContact O-N 3.16Å; S432-D434 PolarHBondContact OG-N 3.22Å; D434-Y436 HydrophobicContact CB-CD2 4.33Å; D434-Y436 WeakPolarHBondContact O-CD2 3.4Å; D434-Y436 PolarHBondContact O-N 2.8Å
435	E	91.1	Very high	95.2	Very high	78 Å²	78	54.1 Å²	54.1	36%	0.364	28%	0.275	S	S	.	.	S	Bend	trans	62.7	21	-175.6	-54.9	-163.9	143	0	0	115.5	L431 S432 P433 M490 K494	L431-E435 HydrophobicContact CD1-CB 4.34Å; S432-E435 PolarHBondContact O-N 3.44Å; P433-E435 VanDerWaalsContact C-N 3.25Å; P433-E435 PolarHBondContact O-N 2.8Å; E435-M490 WeakPolarHBondContact O-CE 3.17Å; E435-K494 WeakPolarHBondContact OE2-CE 3.32Å
436	Y	93.8	Very high	95.3	Very high	139 Å²	139	53.6 Å²	53.6	55%	0.545	27%	0.271	S	S	.	.	S	Bend	trans	-93.3	176.7	173	-88.1	-98.1	0	0	0	112.3	L431 S432 D434 A438 M490	L431-Y436 CarbonylContact C-O 3.58Å; L431-Y436 VanDerWaalsContact CA-O 3.31Å; L431-Y436 WeakPolarHBondContact CA-O 3.19Å; S432-Y436 PolarHBondContact N-O 3.25Å; S432-Y436 PolarHBondContact OG-N 3Å; S432-Y436 VanDerWaalsContact OG-N 3.16Å; D434-Y436 HydrophobicContact CB-CD2 4.33Å; D434-Y436 WeakPolarHBondContact O-CD2 3.4Å; D434-Y436 PolarHBondContact O-N 2.8Å; Y436-A438 PolarHBondContact O-N 2.82Å; Y436-M490 HydrophobicContact CD1-CE 4.24Å; Y436-M490 HydrophobicContact CD1-SD 4.35Å; Y436-M490 HydrophobicContact CD2-CE 4.21Å; Y436-M490 HydrophobicContact CE1-CE 4.23Å; Y436-M490 HydrophobicContact CE1-SD 4.12Å; Y436-M490 HydrophobicContact CE2-CE 4.19Å; Y436-M490 HydrophobicContact CG-CE 4.23Å
437	Y	93.1	Very high	95.2	Very high	78 Å²	78	54.3 Å²	54.3	31%	0.306	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-51.3	126.5	178.4	170.4	-103.4	0	0	0	112.6	W428	W428-Y437 HydrophobicContact CB-CD2 4.16Å; W428-Y437 AromaticContact CD1-CD2 3.56Å; W428-Y437 AromaticContact CD2-CD2 3.9Å; W428-Y437 HydrophobicContact CD2-CD2 3.9Å; W428-Y437 HydrophobicContact CD2-CG 4.45Å; W428-Y437 AromaticContact CG-CD2 3.63Å; W428-Y437 HydrophobicContact CG-CD2 3.63Å; W428-Y437 HydrophobicContact CG-CE2 4.4Å; W428-Y437 AromaticContact NE1-CD2 3.82Å
438	A	93.8	Very high	95.2	Very high	25 Å²	25	59 Å²	59	21%	0.207	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	148.8	161.5	0	0	0	0	0	110.3	A430 Y436	A430-A438 CarbonylContact C-O 3.53Å; A430-A438 HydrophobicContact CB-CB 4.05Å; A430-A438 PolarHBondContact N-O 3.09Å; A430-A438 PolarHBondContact O-N 3.5Å; Y436-A438 PolarHBondContact O-N 2.82Å
439	R	94.1	Very high	95.1	Very high	150 Å²	150	60.7 Å²	60.7	57%	0.566	30%	0.303	S	S	*	.			trans	-82.4	123.5	174.2	-176.9	179.2	-69.7	173	0.1	109.7	Y443	R439-Y443 HydrophobicContact CG-CD1 4.29Å; R439-Y443 HydrophobicContact CG-CG 4.31Å
440	S	94.8	Very high	95.2	Very high	12 Å²	12	66.7 Å²	66.7	8%	0.084	33%	0.326	C	S	.	.			trans	-73.5	160.3	169.6	65	0	0	0	0	111.8	G429 D442 Y443	G429-S440 WeakPolarHBondContact CA-OG 3.21Å; S440-D442 WeakPolarHBondContact CB-OD1 3.36Å; S440-D442 PolarHBondContact O-N 3.43Å; S440-D442 PolarHBondContact OG-OD1 2.89Å; S440-Y443 PolarHBondContact O-N 2.73Å; S440-Y443 WeakPolarHBondContact OG-CB 3.25Å; S440-Y443 PolarHBondContact OG-N 3.3Å
441	E	94.4	Very high	95.2	Very high	142 Å²	142	67.6 Å²	67.6	66%	0.664	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-31.5	178.4	-64	-173.5	156	0	0	113.5	Y263	Y263-E441 PolarHBondContact OH-OE2 2.84Å
442	D	97	Very high	95.4	Very high	5 Å²	5	69.2 Å²	69.2	3%	0.027	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.1	0	-174.9	62.4	-14.5	0	0	0	114.4	Y263 Y267 S440 V444 E445 L446	Y263-D442 HydrophobicContact CE2-CB 4.31Å; Y263-D442 WeakPolarHBondContact CE2-OD2 3.44Å; Y267-D442 WeakPolarHBondContact CE2-OD2 3.43Å; Y267-D442 WeakPolarHBondContact OH-CB 3.3Å; Y267-D442 PolarHBondContact OH-OD2 2.85Å; S440-D442 WeakPolarHBondContact CB-OD1 3.36Å; S440-D442 PolarHBondContact O-N 3.43Å; S440-D442 PolarHBondContact OG-OD1 2.89Å; D442-V444 VanDerWaalsContact C-N 3.29Å; D442-V444 PolarHBondContact O-N 3.31Å; D442-E445 WeakPolarHBondContact O-CB 3.43Å; D442-E445 PolarHBondContact O-N 2.88Å; D442-E445 VanDerWaalsContact O-N 3.07Å; D442-L446 WeakPolarHBondContact O-CG 3.32Å; D442-L446 PolarHBondContact O-N 3.14Å
443	Y	98.1	Very high	95.6	Very high	4 Å²	4	67.7 Å²	67.7	2%	0.016	32%	0.324	C	S	.	.	H	α-helix	trans	-53.6	-45	-172.4	-178.6	-100.8	0	0	0	112.8	L423 S425 F427 R439 S440 E445 L446 V447	L423-Y443 HydrophobicContact CB-CE1 4.4Å; L423-Y443 PolarHBondContact O-OH 3.45Å; L423-Y443 VanDerWaalsContact O-OH 3.04Å; S425-Y443 PolarHBondContact OG-OH 3.22Å; F427-Y443 HydrophobicContact CD1-CE2 4.36Å; F427-Y443 HydrophobicContact CD2-CD2 4.47Å; F427-Y443 HydrophobicContact CD2-CE2 4.24Å; F427-Y443 HydrophobicContact CE1-CD2 4.38Å; F427-Y443 AromaticContact CE1-CE2 3.85Å; F427-Y443 HydrophobicContact CE1-CE2 3.85Å; F427-Y443 AromaticContact CE2-CD2 3.63Å; F427-Y443 HydrophobicContact CE2-CD2 3.63Å; F427-Y443 AromaticContact CE2-CE2 3.71Å; F427-Y443 HydrophobicContact CE2-CE2 3.71Å; F427-Y443 AromaticContact CZ-CD2 3.58Å; F427-Y443 HydrophobicContact CZ-CD2 3.58Å; F427-Y443 AromaticContact CZ-CE2 3.5Å; F427-Y443 HydrophobicContact CZ-CE2 3.5Å; F427-Y443 VanDerWaalsContact CZ-CE2 3.5Å; R439-Y443 HydrophobicContact CG-CD1 4.29Å; R439-Y443 HydrophobicContact CG-CG 4.31Å; S440-Y443 PolarHBondContact O-N 2.73Å; S440-Y443 WeakPolarHBondContact OG-CB 3.25Å; S440-Y443 PolarHBondContact OG-N 3.3Å; Y443-E445 PolarHBondContact O-N 3.28Å; Y443-L446 PolarHBondContact O-N 3.03Å; Y443-V447 HydrophobicContact CD1-CG2 4.21Å; Y443-V447 HydrophobicContact CE1-CG2 3.82Å; Y443-V447 HydrophobicContact CE2-CG2 4.14Å; Y443-V447 WeakPolarHBondContact O-CG2 3.33Å; Y443-V447 PolarHBondContact O-N 2.77Å
444	V	98	Very high	96	Very high	37 Å²	37	61.5 Å²	61.5	22%	0.224	28%	0.284	C	S	.	.	H	α-helix	trans	-66.5	-40.6	-177.8	178.7	0	0	0	0	110.5	L423 D442 L446 V447 Q448	L423-V444 HydrophobicContact CD1-CG2 4.08Å; L423-V444 HydrophobicContact CD2-CG1 4.18Å; D442-V444 VanDerWaalsContact C-N 3.29Å; D442-V444 PolarHBondContact O-N 3.31Å; V444-L446 VanDerWaalsContact C-N 3.31Å; V444-L446 PolarHBondContact O-N 2.91Å; V444-V447 PolarHBondContact O-N 2.77Å; V444-Q448 HydrophobicContact CG1-CG 4.18Å; V444-Q448 VanDerWaalsContact O-CB 3.23Å; V444-Q448 WeakPolarHBondContact O-CB 3.34Å; V444-Q448 VanDerWaalsContact O-CG 3.27Å; V444-Q448 WeakPolarHBondContact O-CG 3.45Å; V444-Q448 PolarHBondContact O-N 3.34Å
445	E	97.9	Very high	96.4	Very high	54 Å²	54	55.4 Å²	55.4	25%	0.252	25%	0.251	S	S	.	.	H	α-helix	trans	-65	-33.6	175.8	-69	93	140.2	0	0	113	D442 Y443 R449 K450 R451	D442-E445 WeakPolarHBondContact O-CB 3.43Å; D442-E445 PolarHBondContact O-N 2.88Å; D442-E445 VanDerWaalsContact O-N 3.07Å; Y443-E445 PolarHBondContact O-N 3.28Å; E445-R449 PolarHBondContact O-N 3.11Å; E445-K450 HydrophobicContact CB-CB 4.1Å; E445-K450 HydrophobicContact CG-CB 4.33Å; E445-K450 HydrophobicContact CG-CD 4.14Å; E445-K450 PolarHBondContact O-N 3.14Å; E445-R451 HydrophobicContact CB-CG 4.19Å; E445-R451 PolarHBondContact O-N 3.37Å; E445-R451 IonicContact OE1-NH2 2.71Å
446	L	98.3	Very high	96.8	Very high	2 Å²	2	52.2 Å²	52.2	1%	0.01	24%	0.236	C	C	.	.	H	α-helix	trans	-70.2	-50.1	174.9	-59.8	-165.5	0	0	0	111.2	M416 F427 D442 Y443 V444 Q448 R449 R451 W455 N507	M416-L446 VanDerWaalsContact SD-O 3.4Å; F427-L446 HydrophobicContact CE2-CD1 4.18Å; F427-L446 HydrophobicContact CZ-CB 4.03Å; F427-L446 HydrophobicContact CZ-CD1 4.32Å; D442-L446 WeakPolarHBondContact O-CG 3.32Å; D442-L446 PolarHBondContact O-N 3.14Å; Y443-L446 PolarHBondContact O-N 3.03Å; V444-L446 VanDerWaalsContact C-N 3.31Å; V444-L446 PolarHBondContact O-N 2.91Å; L446-Q448 PolarHBondContact O-N 3.22Å; L446-R449 WeakPolarHBondContact O-CA 3.48Å; L446-R449 PolarHBondContact O-N 3.26Å; L446-R451 HydrophobicContact CD2-CB 4.09Å; L446-W455 HydrophobicContact CD1-CB 4.43Å; L446-W455 HydrophobicContact CD1-CD2 3.9Å; L446-W455 HydrophobicContact CD1-CE3 4.22Å; L446-W455 HydrophobicContact CD1-CG 3.95Å; L446-W455 HydrophobicContact CD2-CD2 3.68Å; L446-W455 HydrophobicContact CD2-CE3 3.92Å; L446-W455 HydrophobicContact CD2-CG 4.42Å; L446-W455 HydrophobicContact CD2-CH2 3.66Å; L446-W455 HydrophobicContact CD2-CZ2 3.38Å; L446-W455 HydrophobicContact CD2-CZ3 3.91Å; L446-W455 HydrophobicContact CG-CD2 4.44Å; L446-N507 PolarHBondContact O-ND2 2.68Å
447	V	98.1	Very high	97	Very high	15 Å²	15	45.9 Å²	45.9	9%	0.091	21%	0.212	C	C	.	.	H	α-helix	trans	-62.9	-42.6	180	173.5	0	0	0	0	111.5	M416 L423 F427 Y443 V444 R449	M416-V447 WeakPolarHBondContact CE-O 3.35Å; L423-V447 HydrophobicContact CD2-CB 4.47Å; L423-V447 HydrophobicContact CD2-CG1 4.1Å; F427-V447 HydrophobicContact CE1-CG2 3.79Å; F427-V447 HydrophobicContact CZ-CG2 4.01Å; Y443-V447 HydrophobicContact CD1-CG2 4.21Å; Y443-V447 HydrophobicContact CE1-CG2 3.82Å; Y443-V447 HydrophobicContact CE2-CG2 4.14Å; Y443-V447 WeakPolarHBondContact O-CG2 3.33Å; Y443-V447 PolarHBondContact O-N 2.77Å; V444-V447 PolarHBondContact O-N 2.77Å; V447-R449 PolarHBondContact O-N 3.39Å
448	Q	97.5	Very high	97.3	Very high	98 Å²	98	42.6 Å²	42.6	46%	0.458	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	3	176	-65.4	-179.4	-16.9	0	0	113.3	L423 V444 L446 K450	L423-Q448 HydrophobicContact CD2-CG 4.47Å; V444-Q448 HydrophobicContact CG1-CG 4.18Å; V444-Q448 VanDerWaalsContact O-CB 3.23Å; V444-Q448 WeakPolarHBondContact O-CB 3.34Å; V444-Q448 VanDerWaalsContact O-CG 3.27Å; V444-Q448 WeakPolarHBondContact O-CG 3.45Å; V444-Q448 PolarHBondContact O-N 3.34Å; L446-Q448 PolarHBondContact O-N 3.22Å; Q448-K450 HydrophobicContact CB-CG 4.24Å; Q448-K450 PolarHBondContact O-N 3.45Å; Q448-K450 VanDerWaalsContact O-N 3.11Å
449	R	97.7	Very high	97.5	Very high	73 Å²	73	42.2 Å²	42.2	28%	0.275	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.2	29.6	179.4	-52.1	-178.2	73.3	-135.6	-1.9	113.3	M416 E445 L446 V447 R451 V452 N507 Q508 H509 E510	M416-R449 HydrophobicContact CE-CG 3.74Å; E445-R449 PolarHBondContact O-N 3.11Å; L446-R449 WeakPolarHBondContact O-CA 3.48Å; L446-R449 PolarHBondContact O-N 3.26Å; V447-R449 PolarHBondContact O-N 3.39Å; R449-R451 VanDerWaalsContact C-N 3.3Å; R449-V452 HydrophobicContact CB-CG1 3.84Å; R449-V452 WeakPolarHBondContact O-CG1 3.37Å; R449-N507 PolarHBondContact NE-O 3.38Å; R449-N507 VanDerWaalsContact NE-O 3.12Å; R449-N507 PolarHBondContact NH2-O 2.88Å; R449-Q508 VanDerWaalsContact NH2-C 3.32Å; R449-Q508 PolarHBondContact NH2-O 3.06Å; R449-H509 PolarHBondContact NH2-O 3.3Å; R449-E510 IonicContact NH1-OE1 2.83Å; R449-E510 PolarHBondContact NH1-OE1 2.88Å
450	K	97.6	Very high	97.7	Very high	140 Å²	140	35.1 Å²	35.1	61%	0.609	17%	0.167	S	C	*	.	S	Bend	trans	-70.2	-32	170.6	-69.3	177.4	174.8	161.3	0	111.2	E445 Q448	E445-K450 HydrophobicContact CB-CB 4.1Å; E445-K450 HydrophobicContact CG-CB 4.33Å; E445-K450 HydrophobicContact CG-CD 4.14Å; E445-K450 PolarHBondContact O-N 3.14Å; Q448-K450 HydrophobicContact CB-CG 4.24Å; Q448-K450 PolarHBondContact O-N 3.45Å; Q448-K450 VanDerWaalsContact O-N 3.11Å
451	R	97.6	Very high	97.9	Very high	46 Å²	46	34.7 Å²	34.7	17%	0.174	16%	0.164	C	C	.	.	S	Bend	trans	-119.8	116.2	168.2	-53.3	-176.9	-170.3	157.8	8.8	107.4	Y267 W272 E445 L446 R449 W455 N507	Y267-R451 PolarHBondContact OH-NH1 3.2Å; W272-R451 HydrophobicContact CD2-CB 4.38Å; W272-R451 HydrophobicContact CH2-CB 4.38Å; W272-R451 HydrophobicContact CH2-CG 3.67Å; W272-R451 HydrophobicContact CZ2-CB 3.79Å; W272-R451 HydrophobicContact CZ2-CG 3.56Å; W272-R451 HydrophobicContact CZ3-CG 4.19Å; E445-R451 HydrophobicContact CB-CG 4.19Å; E445-R451 PolarHBondContact O-N 3.37Å; E445-R451 IonicContact OE1-NH2 2.71Å; L446-R451 HydrophobicContact CD2-CB 4.09Å; R449-R451 VanDerWaalsContact C-N 3.3Å; R451-W455 HydrophobicContact CB-CH2 3.74Å; R451-W455 HydrophobicContact CB-CZ2 3.82Å; R451-W455 WeakPolarHBondContact O-CZ2 3.4Å; R451-N507 PolarHBondContact O-ND2 2.86Å
452	V	97.8	Very high	98.1	Very high	59 Å²	59	29.6 Å²	29.6	36%	0.358	14%	0.14	S	C	.	.			trans	-108.5	140.6	178.3	-64.1	0	0	0	0	111.2	W272 R449 N507	W272-V452 PolarHBondContact NE1-O 3.08Å; R449-V452 HydrophobicContact CB-CG1 3.84Å; R449-V452 WeakPolarHBondContact O-CG1 3.37Å; V452-N507 VanDerWaalsContact CA-OD1 3.28Å; V452-N507 WeakPolarHBondContact CA-OD1 3.48Å
453	G	97.6	Very high	98.2	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.01	14%	0.139	C	C	.	.	S	Bend	trans	168.9	-162	-176.1	0	0	0	0	0	112.6	C281 W455 N507	C281-G453 VanDerWaalsContact SG-CA 3.59Å; G453-W455 PolarHBondContact O-NE1 3.17Å; G453-N507 PolarHBondContact N-OD1 3.08Å; G453-N507 PolarHBondContact O-N 2.68Å; G453-N507 VanDerWaalsContact O-N 3.11Å; G453-N507 PolarHBondContact O-OD1 2.86Å
454	V	98.1	Very high	98.2	Very high	3 Å²	3	29.1 Å²	29.1	2%	0.018	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	125.5	171.1	177.3	0	0	0	0	107.1	F280 C281 I413 H504 L505 Q508	F280-V454 HydrophobicContact CE2-CB 4.06Å; F280-V454 HydrophobicContact CE2-CG1 4.35Å; F280-V454 WeakPolarHBondContact CZ-O 3.28Å; C281-V454 HydrophobicContact CB-CG2 4.39Å; C281-V454 PolarHBondContact SG-N 3.3Å; I413-V454 HydrophobicContact CD1-CG1 4.37Å; V454-H504 HydrophobicContact CG1-CB 3.81Å; V454-L505 CarbonylContact C-O 3.47Å; V454-L505 VanDerWaalsContact CA-O 3.29Å; V454-L505 WeakPolarHBondContact CA-O 3.46Å; V454-Q508 VanDerWaalsContact CG2-NE2 3.29Å
455	W	98.5	Very high	98.3	Very high	2 Å²	2	27.5 Å²	27.5	1%	0.008	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	131.8	-168.3	-51.2	92.7	0	0	0	109.7	N266 Y267 W272 L446 R451 G453 V457 H504 L505 N507	N266-W455 HydrophobicContact CB-CE3 3.93Å; N266-W455 HydrophobicContact CB-CZ3 4.26Å; Y267-W455 HydrophobicContact CE1-CH2 4.29Å; Y267-W455 AromaticContact CE1-CZ3 3.89Å; Y267-W455 HydrophobicContact CE1-CZ3 3.89Å; Y267-W455 HydrophobicContact CE2-CZ3 4.32Å; Y267-W455 AromaticContact CZ-CZ3 3.67Å; W272-W455 HydrophobicContact CB-CH2 3.96Å; W272-W455 HydrophobicContact CB-CZ3 4.2Å; W272-W455 AromaticContact CD1-CH2 3.71Å; W272-W455 HydrophobicContact CD2-CH2 4.26Å; W272-W455 AromaticContact CG-CH2 3.7Å; W272-W455 HydrophobicContact CG-CH2 3.7Å; W272-W455 HydrophobicContact CG-CZ3 4.41Å; L446-W455 HydrophobicContact CD1-CB 4.43Å; L446-W455 HydrophobicContact CD1-CD2 3.9Å; L446-W455 HydrophobicContact CD1-CE3 4.22Å; L446-W455 HydrophobicContact CD1-CG 3.95Å; L446-W455 HydrophobicContact CD2-CD2 3.68Å; L446-W455 HydrophobicContact CD2-CE3 3.92Å; L446-W455 HydrophobicContact CD2-CG 4.42Å; L446-W455 HydrophobicContact CD2-CH2 3.66Å; L446-W455 HydrophobicContact CD2-CZ2 3.38Å; L446-W455 HydrophobicContact CD2-CZ3 3.91Å; L446-W455 HydrophobicContact CG-CD2 4.44Å; R451-W455 HydrophobicContact CB-CH2 3.74Å; R451-W455 HydrophobicContact CB-CZ2 3.82Å; R451-W455 WeakPolarHBondContact O-CZ2 3.4Å; G453-W455 PolarHBondContact O-NE1 3.17Å; W455-V457 HydrophobicContact CB-CG1 3.94Å; W455-V457 PolarHBondContact O-N 3.14Å; W455-H504 CarbonylContact O-C 3.45Å; W455-H504 VanDerWaalsContact O-CA 3.27Å; W455-H504 WeakPolarHBondContact O-CA 3.41Å; W455-L505 PolarHBondContact N-O 3.45Å; W455-L505 PolarHBondContact O-N 3.17Å; W455-N507 PolarHBondContact NE1-OD1 3.3Å
456	N	98.5	Very high	98.3	Very high	11 Å²	11	25 Å²	25	6%	0.059	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	113.7	166.8	-177.1	-6	0	0	0	108.5	N262 N266 F502	N262-N456 VanDerWaalsContact CG-ND2 3.34Å; N266-N456 PolarHBondContact ND2-O 2.88Å; N266-N456 WeakPolarHBondContact OD1-CB 3.5Å; N266-N456 PolarHBondContact OD1-N 3.1Å; N456-F502 VanDerWaalsContact ND2-CD1 3.3Å; N456-F502 WeakPolarHBondContact ND2-CD1 3.24Å; N456-F502 WeakPolarHBondContact ND2-CD2 3.32Å; N456-F502 WeakPolarHBondContact ND2-CE2 3.38Å; N456-F502 WeakPolarHBondContact ND2-CG 3.39Å
457	V	98.7	Very high	98.3	Very high	6 Å²	6	27.8 Å²	27.8	4%	0.036	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	153.5	-174	-63.3	0	0	0	0	110.3	F427 W455 Y459 I460 L503 L505	F427-V457 HydrophobicContact CB-CG2 4.48Å; F427-V457 HydrophobicContact CD2-CB 4.37Å; F427-V457 HydrophobicContact CD2-CG1 4.01Å; F427-V457 HydrophobicContact CE2-CG1 4.37Å; W455-V457 HydrophobicContact CB-CG1 3.94Å; W455-V457 PolarHBondContact O-N 3.14Å; V457-Y459 PolarHBondContact O-N 3.19Å; V457-I460 HydrophobicContact CG2-CG2 3.6Å; V457-L503 PolarHBondContact N-O 3.49Å; V457-L503 WeakPolarHBondContact O-CB 3.45Å; V457-L505 HydrophobicContact CG1-CB 4.41Å; V457-L505 HydrophobicContact CG2-CB 3.95Å
458	P	98.4	Very high	98.3	Very high	9 Å²	9	27.1 Å²	27.1	6%	0.058	12%	0.123	C	C	.	.	S	Bend	trans	-75	-19	-177.4	27	-36.9	0	0	0	115.4	L259 W428 L431 R497 L503	L259-P458 HydrophobicContact CD1-CB 4.09Å; L259-P458 HydrophobicContact CD2-CB 4.07Å; W428-P458 WeakPolarHBondContact O-CD 3.21Å; W428-P458 WeakPolarHBondContact O-CG 3.34Å; L431-P458 HydrophobicContact CD1-CB 4.05Å; L431-P458 HydrophobicContact CD2-CB 4.17Å; L431-P458 HydrophobicContact CD2-CG 4.31Å; L431-P458 HydrophobicContact CG-CB 3.77Å; L431-P458 HydrophobicContact CG-CG 4.09Å; P458-R497 PolarHBondContact O-NH1 3.25Å; P458-L503 WeakPolarHBondContact O-CD1 3.39Å
459	Y	98.8	Very high	98.3	Very high	18 Å²	18	26.6 Å²	26.6	7%	0.071	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	136.3	-174.1	177.6	-85.7	0	0	0	110.8	F427 W428 V457 S461 D489 M490 C493	F427-Y459 VanDerWaalsContact CA-O 3.25Å; F427-Y459 WeakPolarHBondContact CA-O 3.24Å; F427-Y459 WeakPolarHBondContact CB-O 3.46Å; W428-Y459 HydrophobicContact CB-CD1 4.31Å; W428-Y459 HydrophobicContact CB-CG 4.41Å; W428-Y459 AromaticContact CD1-CD1 3.64Å; W428-Y459 AromaticContact CD2-CD1 3.69Å; W428-Y459 HydrophobicContact CD2-CD1 3.69Å; W428-Y459 HydrophobicContact CD2-CD2 4.23Å; W428-Y459 HydrophobicContact CD2-CE1 4.25Å; W428-Y459 AromaticContact CD2-CG 3.69Å; W428-Y459 HydrophobicContact CD2-CG 3.69Å; W428-Y459 AromaticContact CE2-CD1 3.8Å; W428-Y459 AromaticContact CE2-CE1 3.86Å; W428-Y459 HydrophobicContact CE3-CD1 4.37Å; W428-Y459 HydrophobicContact CE3-CD2 4.12Å; W428-Y459 AromaticContact CE3-CG 3.89Å; W428-Y459 HydrophobicContact CE3-CG 3.89Å; W428-Y459 AromaticContact CG-CD1 3.62Å; W428-Y459 HydrophobicContact CG-CD1 3.62Å; W428-Y459 HydrophobicContact CG-CE1 4.38Å; W428-Y459 AromaticContact CG-CG 3.92Å; W428-Y459 HydrophobicContact CG-CG 3.92Å; W428-Y459 HydrophobicContact CH2-CD2 4.47Å; W428-Y459 HydrophobicContact CH2-CE2 4.43Å; W428-Y459 HydrophobicContact CZ2-CE1 4.33Å; W428-Y459 HydrophobicContact CZ2-CE2 4.34Å; W428-Y459 HydrophobicContact CZ3-CD2 4.25Å; W428-Y459 HydrophobicContact CZ3-CG 4.47Å; W428-Y459 PolarHBondContact N-O 2.8Å; W428-Y459 VanDerWaalsContact N-O 3.11Å; W428-Y459 AromaticContact NE1-CD1 3.7Å; W428-Y459 AromaticContact NE1-CE1 3.68Å; V457-Y459 PolarHBondContact O-N 3.19Å; Y459-S461 WeakPolarHBondContact CE1-OG 3.48Å; Y459-D489 HydrophobicContact CE2-CB 4.19Å; Y459-D489 WeakPolarHBondContact OH-CB 3.48Å; Y459-M490 HydrophobicContact CD2-CG 4.44Å; Y459-M490 HydrophobicContact CE2-CG 3.93Å; Y459-C493 HydrophobicContact CD2-CB 4.01Å; Y459-C493 WeakPolarHBondContact CD2-SG 3.48Å
460	I	98.8	Very high	98.3	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	152.1	172.8	59.6	175.5	0	0	0	108.9	V412 A414 N426 F427 V457 Y464 F492 C493 L503 L505	V412-I460 HydrophobicContact CG1-CD1 3.55Å; A414-I460 HydrophobicContact CB-CB 3.89Å; A414-I460 HydrophobicContact CB-CD1 4.01Å; A414-I460 HydrophobicContact CB-CG1 4.49Å; A414-I460 HydrophobicContact CB-CG2 3.92Å; N426-I460 CarbonylContact O-C 3.31Å; N426-I460 WeakPolarHBondContact O-CA 3.44Å; F427-I460 HydrophobicContact CB-CG2 4.39Å; V457-I460 HydrophobicContact CG2-CG2 3.6Å; I460-Y464 HydrophobicContact CD1-CG 4.48Å; I460-F492 HydrophobicContact CG1-CE1 4.17Å; I460-C493 PolarHBondContact N-SG 2.94Å; I460-C493 VanDerWaalsContact N-SG 3.44Å; I460-C493 PolarHBondContact O-SG 3.26Å; I460-L503 HydrophobicContact CD1-CB 4.11Å; I460-L503 HydrophobicContact CD1-CD2 4.09Å; I460-L503 HydrophobicContact CG1-CB 4.25Å; I460-L503 HydrophobicContact CG1-CD1 4.46Å; I460-L503 HydrophobicContact CG1-CD2 4.38Å; I460-L503 HydrophobicContact CG2-CB 4.41Å; I460-L505 HydrophobicContact CG2-CD1 4.48Å
461	S	98.6	Very high	98.3	Very high	4 Å²	4	16.6 Å²	16.6	3%	0.028	8%	0.082	C	C	.	.			trans	-154.3	179.8	-177.3	52.9	0	0	0	0	111.5	N426 Y459 A463	N426-S461 WeakPolarHBondContact CB-O 3.43Å; N426-S461 PolarHBondContact ND2-O 3Å; N426-S461 VanDerWaalsContact ND2-O 3.08Å; N426-S461 PolarHBondContact O-N 2.57Å; N426-S461 PolarHBondContact O-OG 3.48Å; Y459-S461 WeakPolarHBondContact CE1-OG 3.48Å; S461-A463 PolarHBondContact O-N 2.82Å
462	Q	98.5	Very high	98.3	Very high	34 Å²	34	17.6 Å²	17.6	16%	0.159	9%	0.085	C	C	.	.	S	Bend	trans	59.5	-43.7	179.1	-71.8	87.6	5.6	0	0	117.7	L390 D391 D393 A394 N426 L514	L390-Q462 CarbonylContact C-O 3.6Å; L390-Q462 WeakPolarHBondContact CA-O 3.21Å; D391-Q462 HydrophobicContact CB-CB 4.34Å; D391-Q462 HydrophobicContact CB-CG 4.36Å; D391-Q462 PolarHBondContact N-O 3.32Å; D393-Q462 VanDerWaalsContact OD1-CG 3.3Å; D393-Q462 WeakPolarHBondContact OD1-CG 3.08Å; A394-Q462 HydrophobicContact CB-CB 4.42Å; N426-Q462 HydrophobicContact CB-CB 4.25Å; Q462-L514 HydrophobicContact CB-CD2 4.06Å; Q462-L514 HydrophobicContact CG-CD2 3.89Å
463	A	98.9	Very high	98.2	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	124.2	-178.6	0	0	0	0	0	110.3	S389 L390 A414 P415 L417 S461	S389-A463 VanDerWaalsContact O-CA 3.31Å; S389-A463 WeakPolarHBondContact O-CA 3.44Å; L390-A463 HydrophobicContact CD1-CB 3.84Å; A414-A463 WeakPolarHBondContact CA-O 3.24Å; A414-A463 WeakPolarHBondContact CB-O 3.32Å; P415-A463 VanDerWaalsContact CD-O 3.27Å; P415-A463 WeakPolarHBondContact CD-O 3.44Å; P415-A463 HydrophobicContact CG-CB 3.88Å; L417-A463 HydrophobicContact CD1-CB 3.91Å; S461-A463 PolarHBondContact O-N 2.82Å
464	Y	98.9	Very high	98.1	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.5	144.8	177.2	46.9	-95.2	0	0	0	113	Y387 F388 S389 I413 I460 I466 F481 F492	Y387-Y464 HydrophobicContact CE1-CE2 4.17Å; F388-Y464 WeakPolarHBondContact CD2-O 3.29Å; S389-Y464 PolarHBondContact N-O 2.87Å; S389-Y464 PolarHBondContact O-N 3.11Å; S389-Y464 PolarHBondContact OG-OH 3.47Å; I413-Y464 CarbonylContact O-C 3.1Å; I413-Y464 WeakPolarHBondContact O-CA 3.5Å; I460-Y464 HydrophobicContact CD1-CG 4.48Å; Y464-I466 HydrophobicContact CD2-CD1 3.74Å; Y464-I466 HydrophobicContact CD2-CG1 3.96Å; Y464-I466 HydrophobicContact CE2-CD1 3.8Å; Y464-F481 WeakPolarHBondContact OH-CE1 3.31Å; Y464-F481 VanDerWaalsContact OH-CZ 3.29Å; Y464-F481 WeakPolarHBondContact OH-CZ 3.19Å; Y464-F492 HydrophobicContact CD1-CE1 4.48Å; Y464-F492 AromaticContact CD2-CZ 3.97Å; Y464-F492 HydrophobicContact CD2-CZ 3.97Å; Y464-F492 HydrophobicContact CE1-CE1 4.21Å; Y464-F492 HydrophobicContact CE1-CZ 4.43Å; Y464-F492 HydrophobicContact CE2-CE1 4.29Å; Y464-F492 HydrophobicContact CE2-CE2 4.03Å; Y464-F492 AromaticContact CE2-CZ 3.71Å; Y464-F492 HydrophobicContact CE2-CZ 3.71Å; Y464-F492 HydrophobicContact CG-CZ 4.42Å; Y464-F492 AromaticContact CZ-CZ 3.98Å
465	V	98.9	Very high	98	Very high	3 Å²	3	22.3 Å²	22.3	2%	0.018	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	131.2	174.2	176.7	0	0	0	0	109.3	F386 Y387 F388 L402 L405 I406 V412 I413	F386-V465 HydrophobicContact CB-CG1 4.16Å; F386-V465 HydrophobicContact CD1-CG1 3.62Å; F386-V465 HydrophobicContact CE1-CG1 4.42Å; F386-V465 HydrophobicContact CG-CG1 4.21Å; Y387-V465 CarbonylContact O-C 3.59Å; Y387-V465 VanDerWaalsContact O-CA 3.32Å; Y387-V465 WeakPolarHBondContact O-CA 3.37Å; F388-V465 HydrophobicContact CB-CG2 4.19Å; F388-V465 HydrophobicContact CD2-CG2 3.55Å; F388-V465 HydrophobicContact CE2-CG2 4.13Å; F388-V465 HydrophobicContact CG-CG2 3.96Å; L402-V465 HydrophobicContact CD1-CG2 3.94Å; L405-V465 HydrophobicContact CB-CB 4.32Å; L405-V465 HydrophobicContact CB-CG2 3.91Å; L405-V465 HydrophobicContact CD1-CG2 3.79Å; I406-V465 HydrophobicContact CG1-CG1 4.37Å; V412-V465 WeakPolarHBondContact CA-O 3.21Å; I413-V465 HydrophobicContact CG2-CB 4.26Å; I413-V465 PolarHBondContact N-O 3.01Å; I413-V465 PolarHBondContact O-N 3.25Å
466	I	98.8	Very high	97.8	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	136.3	178	-56.1	170.4	0	0	0	108.9	M375 F386 Y387 K411 V412 Y464 G468 L471 F492 F496	M375-I466 HydrophobicContact CE-CD1 3.65Å; F386-I466 CarbonylContact C-O 3.44Å; F386-I466 WeakPolarHBondContact CA-O 3.28Å; Y387-I466 HydrophobicContact CD1-CB 4.43Å; Y387-I466 HydrophobicContact CD1-CD1 4.02Å; Y387-I466 HydrophobicContact CD1-CG1 4.45Å; Y387-I466 HydrophobicContact CE1-CD1 4.48Å; Y387-I466 PolarHBondContact N-O 3.47Å; Y387-I466 PolarHBondContact O-N 3.23Å; K411-I466 CarbonylContact O-C 3.53Å; K411-I466 WeakPolarHBondContact O-CA 3.49Å; V412-I466 HydrophobicContact CG1-CG1 4.08Å; V412-I466 HydrophobicContact CG2-CG1 4.19Å; V412-I466 HydrophobicContact CG2-CG2 4.24Å; Y464-I466 HydrophobicContact CD2-CD1 3.74Å; Y464-I466 HydrophobicContact CD2-CG1 3.96Å; Y464-I466 HydrophobicContact CE2-CD1 3.8Å; I466-G468 PolarHBondContact O-N 3.21Å; I466-L471 HydrophobicContact CG2-CD1 4.42Å; I466-L471 HydrophobicContact CG2-CD2 3.79Å; I466-L471 HydrophobicContact CG2-CG 3.88Å; I466-F492 HydrophobicContact CD1-CE2 3.72Å; I466-F492 HydrophobicContact CD1-CZ 3.98Å; I466-F496 HydrophobicContact CD1-CE2 4.47Å; I466-F496 HydrophobicContact CD1-CZ 3.94Å; I466-F496 HydrophobicContact CG2-CE1 4.34Å; I466-F496 HydrophobicContact CG2-CZ 4.22Å
467	R	98.3	Very high	97.6	Very high	62 Å²	62	28.6 Å²	28.6	23%	0.234	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	127.8	172.9	-168.2	-179.2	-57.9	178.3	0.9	110.1	F386 N409 R410 K411 D469 T470 L471	F386-R467 HydrophobicContact CE1-CB 4.34Å; F386-R467 HydrophobicContact CE1-CG 4.4Å; N409-R467 VanDerWaalsContact C-NH2 3.35Å; N409-R467 PolarHBondContact O-NH2 2.81Å; N409-R467 PolarHBondContact OD1-NH2 3.3Å; R410-R467 PolarHBondContact O-NH2 3Å; K411-R467 PolarHBondContact O-N 3.48Å; R467-D469 HydrophobicContact CG-CB 4.16Å; R467-D469 PolarHBondContact O-N 2.97Å; R467-T470 WeakPolarHBondContact O-CB 3.44Å; R467-T470 PolarHBondContact O-N 2.98Å; R467-L471 PolarHBondContact O-N 3.26Å
468	G	97.7	Very high	97.3	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-57.1	-36.1	178.5	0	0	0	0	0	112.7	E385 I466 T470 L471 R472	E385-G468 PolarHBondContact O-N 3.07Å; I466-G468 PolarHBondContact O-N 3.21Å; G468-T470 VanDerWaalsContact C-N 3.31Å; G468-T470 PolarHBondContact O-N 3.26Å; G468-L471 WeakPolarHBondContact O-CB 3.32Å; G468-L471 PolarHBondContact O-N 3.01Å; G468-L471 VanDerWaalsContact O-N 3.16Å; G468-R472 VanDerWaalsContact C-CZ 3.41Å; G468-R472 VanDerWaalsContact C-NH2 3.31Å; G468-R472 PolarHBondContact O-N 2.86Å; G468-R472 VanDerWaalsContact O-N 3.09Å
469	D	97.3	Very high	97.1	Very high	88 Å²	88	38.8 Å²	38.8	47%	0.471	19%	0.191	S	C	.	.	H	α-helix	trans	-59.9	-41	175.9	-67.6	-20.4	0	0	0	112.2	R467 L471 R472 T473	R467-D469 HydrophobicContact CG-CB 4.16Å; R467-D469 PolarHBondContact O-N 2.97Å; D469-L471 VanDerWaalsContact C-N 3.3Å; D469-L471 PolarHBondContact O-N 3.23Å; D469-R472 PolarHBondContact O-N 3.32Å; D469-R472 VanDerWaalsContact O-N 3.09Å; D469-R472 IonicContact OD1-CZ 3.45Å; D469-R472 IonicContact OD1-NE 2.79Å; D469-R472 IonicContact OD1-NH2 3.51Å; D469-R472 PolarHBondContact OD1-NH2 2.84Å; D469-T473 PolarHBondContact O-N 2.9Å; D469-T473 PolarHBondContact O-OG1 3.29Å
470	T	97.9	Very high	97	Very high	2 Å²	2	38 Å²	38	1%	0.012	19%	0.187	C	C	.	.	H	α-helix	trans	-62.4	-39.3	177.7	-65.1	0	0	0	0	111.2	K411 R467 G468 R472 E474 L475 F496 I501	K411-T470 HydrophobicContact CB-CG2 4.35Å; K411-T470 HydrophobicContact CD-CG2 4.37Å; R467-T470 WeakPolarHBondContact O-CB 3.44Å; R467-T470 PolarHBondContact O-N 2.98Å; G468-T470 VanDerWaalsContact C-N 3.31Å; G468-T470 PolarHBondContact O-N 3.26Å; T470-R472 VanDerWaalsContact C-N 3.31Å; T470-R472 PolarHBondContact O-N 3.18Å; T470-E474 HydrophobicContact CG2-CB 4.29Å; T470-E474 WeakPolarHBondContact O-CB 3.48Å; T470-E474 PolarHBondContact O-N 3.47Å; T470-E474 PolarHBondContact OG1-OE1 2.7Å; T470-L475 PolarHBondContact O-N 3.36Å; T470-F496 HydrophobicContact CG2-CE1 4.21Å; T470-I501 HydrophobicContact CG2-CD1 3.75Å; T470-I501 HydrophobicContact CG2-CG2 4.48Å
471	L	97.6	Very high	96.9	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-63.9	-36.1	174.5	-61	179.1	0	0	0	112.1	M375 R379 I466 R467 G468 D469 L475 F496	M375-L471 HydrophobicContact CE-CD2 4.3Å; M375-L471 HydrophobicContact CG-CD1 3.79Å; M375-L471 HydrophobicContact CG-CD2 3.77Å; M375-L471 HydrophobicContact CG-CG 4.41Å; M375-L471 HydrophobicContact SD-CD2 3.61Å; R379-L471 HydrophobicContact CB-CB 4.21Å; R379-L471 WeakPolarHBondContact CD-O 3.49Å; R379-L471 HydrophobicContact CG-CB 4.14Å; R379-L471 PolarHBondContact NE-O 3.24Å; R379-L471 VanDerWaalsContact NE-O 3.17Å; I466-L471 HydrophobicContact CG2-CD1 4.42Å; I466-L471 HydrophobicContact CG2-CD2 3.79Å; I466-L471 HydrophobicContact CG2-CG 3.88Å; R467-L471 PolarHBondContact O-N 3.26Å; G468-L471 WeakPolarHBondContact O-CB 3.32Å; G468-L471 PolarHBondContact O-N 3.01Å; G468-L471 VanDerWaalsContact O-N 3.16Å; D469-L471 VanDerWaalsContact C-N 3.3Å; D469-L471 PolarHBondContact O-N 3.23Å; L471-L475 CarbonylContact O-C 3.56Å; L471-F496 HydrophobicContact CD2-CZ 4.28Å
472	R	97.7	Very high	96.6	Very high	67 Å²	67	39.4 Å²	39.4	25%	0.253	20%	0.198	S	C	.	.	H	α-helix	trans	-79.5	-39.5	-178.5	-71.7	-178.7	-70.9	-95.4	4.1	113.3	R379 D381 C384 G468 D469 T470	R379-R472 HydrophobicContact CG-CG 4.1Å; R379-R472 WeakPolarHBondContact O-CD 3.39Å; R379-R472 WeakPolarHBondContact O-CG 3.48Å; D381-R472 PolarHBondContact O-NH1 3.27Å; C384-R472 PolarHBondContact O-NH1 3.05Å; C384-R472 PolarHBondContact O-NH2 3.45Å; G468-R472 VanDerWaalsContact C-CZ 3.41Å; G468-R472 VanDerWaalsContact C-NH2 3.31Å; G468-R472 PolarHBondContact O-N 2.86Å; G468-R472 VanDerWaalsContact O-N 3.09Å; D469-R472 PolarHBondContact O-N 3.32Å; D469-R472 VanDerWaalsContact O-N 3.09Å; D469-R472 IonicContact OD1-CZ 3.45Å; D469-R472 IonicContact OD1-NE 2.79Å; D469-R472 IonicContact OD1-NH2 3.51Å; D469-R472 PolarHBondContact OD1-NH2 2.84Å; T470-R472 VanDerWaalsContact C-N 3.31Å; T470-R472 PolarHBondContact O-N 3.18Å
473	T	95.8	Very high	95.8	Very high	106 Å²	106	41.2 Å²	41.2	65%	0.65	23%	0.225	S	C	*	.	H	α-helix	trans	-101.4	-30.9	-170.2	62	0	0	0	0	114.2	D469	D469-T473 PolarHBondContact O-N 2.9Å; D469-T473 PolarHBondContact O-OG1 3.29Å
474	E	95.8	Very high	95.2	Very high	56 Å²	56	44.3 Å²	44.3	26%	0.262	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.3	-28.8	-171.3	-56.6	-179.9	-104.5	0	0	113.1	K411 T470 P476 I501	K411-E474 WeakPolarHBondContact CD-OE1 3.44Å; K411-E474 WeakPolarHBondContact CE-OE1 3.25Å; K411-E474 IonicContact NZ-OE1 3.27Å; K411-E474 PolarHBondContact NZ-OE1 3.03Å; K411-E474 IonicContact NZ-OE2 3.63Å; K411-E474 PolarHBondContact NZ-OE2 3.19Å; T470-E474 HydrophobicContact CG2-CB 4.29Å; T470-E474 WeakPolarHBondContact O-CB 3.48Å; T470-E474 PolarHBondContact O-N 3.47Å; T470-E474 PolarHBondContact OG1-OE1 2.7Å; E474-P476 VanDerWaalsContact C-CD 3.41Å; E474-I501 HydrophobicContact CB-CD1 3.89Å
475	L	95.9	Very high	94.6	Very high	0 Å²	0	53 Å²	53	0%	0	29%	0.293	C	S	.	.			trans	-127.7	60.5	175.8	-76.7	170.5	0	0	0	113.1	R379 T470 L471 Q477 F496 K499 I501	R379-L475 PolarHBondContact NE-O 3.09Å; R379-L475 PolarHBondContact NH2-O 2.78Å; R379-L475 VanDerWaalsContact NH2-O 3.14Å; T470-L475 PolarHBondContact O-N 3.36Å; L471-L475 CarbonylContact O-C 3.56Å; L475-Q477 PolarHBondContact O-N 3.11Å; L475-F496 HydrophobicContact CD1-CD1 3.44Å; L475-F496 VanDerWaalsContact CD1-CD1 3.44Å; L475-F496 HydrophobicContact CD1-CD2 3.5Å; L475-F496 VanDerWaalsContact CD1-CD2 3.5Å; L475-F496 HydrophobicContact CD1-CE1 3.25Å; L475-F496 HydrophobicContact CD1-CE2 3.29Å; L475-F496 HydrophobicContact CD1-CG 3.58Å; L475-F496 HydrophobicContact CD1-CZ 3.18Å; L475-K499 HydrophobicContact CD2-CG 3.65Å; L475-K499 HydrophobicContact CG-CG 4.24Å; L475-I501 HydrophobicContact CD1-CD1 3.9Å; L475-I501 HydrophobicContact CG-CD1 4.08Å
476	P	94.7	Very high	94.2	Very high	81 Å²	81	55.7 Å²	55.7	53%	0.526	31%	0.31	S	S	.	.			trans	-72.6	-13.8	-176.5	32.1	-37.5	0	0	0	113.6	E474	E474-P476 VanDerWaalsContact C-CD 3.41Å
477	Q	94.1	Very high	94	Very high	65 Å²	65	59.1 Å²	59.1	30%	0.304	33%	0.328	S	S	.	.			trans	-68.5	145.2	178.5	74	-83.6	16.5	0	0	111.2	R379 L475 D479 V480	R379-Q477 VanDerWaalsContact CZ-O 3.25Å; R379-Q477 PolarHBondContact NH2-O 3.44Å; L475-Q477 PolarHBondContact O-N 3.11Å; Q477-D479 WeakPolarHBondContact CG-O 3.07Å; Q477-V480 HydrophobicContact CG-CG2 4.46Å
478	R	92.5	Very high	94	Very high	130 Å²	130	57.8 Å²	57.8	49%	0.491	33%	0.327	S	S	.	.	S	Bend	trans	-73.1	-45.5	176.7	-176.8	171	174.2	168.7	-3.9	111.7	D372 D376 V480	D372-R478 VanDerWaalsContact CG-O 3.26Å; D376-R478 HydrophobicContact CB-CG 4.46Å; R478-V480 PolarHBondContact O-N 3.36Å
479	D	94.1	Very high	93.9	Very high	99 Å²	99	58.9 Å²	58.9	53%	0.529	33%	0.333	S	S	.	.			trans	-74.4	90.7	-177.8	-53.4	-11.2	0	0	0	109.6	Q477	Q477-D479 WeakPolarHBondContact CG-O 3.07Å
480	V	96.8	Very high	93.9	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	32%	0.316	C	S	.	.	S	Bend	trans	-107.8	-42.3	177.6	175.7	0	0	0	0	110.3	D372 M375 Q477 R478 A491 F492 S495 F496	D372-V480 WeakPolarHBondContact OD1-CA 3.42Å; D372-V480 WeakPolarHBondContact OD1-CB 3.38Å; D372-V480 PolarHBondContact OD1-N 3.21Å; M375-V480 HydrophobicContact CE-CG1 4.49Å; M375-V480 HydrophobicContact SD-CB 4.16Å; M375-V480 HydrophobicContact SD-CG1 4Å; M375-V480 HydrophobicContact SD-CG2 4.03Å; Q477-V480 HydrophobicContact CG-CG2 4.46Å; R478-V480 PolarHBondContact O-N 3.36Å; V480-A491 CarbonylContact O-C 3.49Å; V480-F492 HydrophobicContact CG1-CB 4.48Å; V480-F492 HydrophobicContact CG1-CD2 3.89Å; V480-F492 WeakPolarHBondContact O-CA 3.25Å; V480-F492 PolarHBondContact O-N 3.36Å; V480-S495 PolarHBondContact O-OG 3.16Å; V480-F496 HydrophobicContact CG1-CE2 4.29Å
481	F	97	Very high	93.9	Very high	2 Å²	2	56 Å²	56	1%	0.009	32%	0.319	C	S	.	.	S	Bend	trans	-96.8	-29.2	176.9	-62.9	-93.8	0	0	0	111.6	R371 D372 M375 Y464 P488 F492	R371-F481 HydrophobicContact CB-CB 4.29Å; R371-F481 HydrophobicContact CB-CD1 3.84Å; R371-F481 HydrophobicContact CB-CD2 3.55Å; R371-F481 HydrophobicContact CB-CE1 4.01Å; R371-F481 HydrophobicContact CB-CE2 3.74Å; R371-F481 HydrophobicContact CB-CG 3.63Å; R371-F481 HydrophobicContact CB-CZ 3.98Å; R371-F481 HydrophobicContact CG-CD1 4.34Å; R371-F481 HydrophobicContact CG-CE1 4.36Å; D372-F481 VanDerWaalsContact OD1-CD2 3.29Å; D372-F481 WeakPolarHBondContact OD1-CD2 3.45Å; D372-F481 PolarHBondContact OD1-N 2.91Å; M375-F481 HydrophobicContact CB-CE2 4.48Å; M375-F481 HydrophobicContact CE-CE2 3.37Å; M375-F481 HydrophobicContact CE-CZ 3.63Å; M375-F481 HydrophobicContact SD-CE2 3.95Å; Y464-F481 WeakPolarHBondContact OH-CE1 3.31Å; Y464-F481 VanDerWaalsContact OH-CZ 3.29Å; Y464-F481 WeakPolarHBondContact OH-CZ 3.19Å; F481-P488 HydrophobicContact CB-CB 4.2Å; F481-P488 WeakPolarHBondContact CD1-O 3.21Å; F481-P488 WeakPolarHBondContact O-CA 3.31Å; F481-F492 HydrophobicContact CD1-CB 3.48Å; F481-F492 VanDerWaalsContact CD1-CB 3.48Å; F481-F492 HydrophobicContact CD1-CG 4.2Å; F481-F492 HydrophobicContact CE1-CB 3.34Å; F481-F492 HydrophobicContact CE1-CD1 4.33Å; F481-F492 AromaticContact CE1-CD2 3.69Å; F481-F492 HydrophobicContact CE1-CD2 3.69Å; F481-F492 AromaticContact CE1-CG 3.53Å; F481-F492 HydrophobicContact CE1-CG 3.53Å; F481-F492 HydrophobicContact CE2-CD2 4.08Å; F481-F492 HydrophobicContact CG-CB 4.19Å; F481-F492 HydrophobicContact CZ-CB 3.96Å; F481-F492 AromaticContact CZ-CD2 3.41Å; F481-F492 HydrophobicContact CZ-CD2 3.41Å; F481-F492 VanDerWaalsContact CZ-CD2 3.41Å; F481-F492 HydrophobicContact CZ-CE2 4.08Å; F481-F492 AromaticContact CZ-CG 3.8Å; F481-F492 HydrophobicContact CZ-CG 3.8Å
482	S	92.4	Very high	93.9	Very high	33 Å²	33	56 Å²	56	23%	0.231	32%	0.319	C	S	.	.			trans	-100	177.6	-178.2	-45.7	0	0	0	0	112.9	G368 E369 D372	G368-S482 PolarHBondContact O-OG 3.27Å; E369-S482 PolarHBondContact N-OG 3.02Å; D372-S482 WeakPolarHBondContact OD2-CB 3.35Å; D372-S482 PolarHBondContact OD2-N 3.03Å; D372-S482 PolarHBondContact OD2-OG 3.23Å
483	G	80.4	Confident	93.9	Very high	71 Å²	71	52.8 Å²	52.8	73%	0.732	31%	0.307	S	S	*	.	S	Bend	trans	102.1	-2.3	170.8	0	0	0	0	0	115.5
484	S	85.8	Confident	94	Very high	66 Å²	66	51 Å²	51	46%	0.462	29%	0.29	S	S	.	.	S	Bend	trans	-142.8	167.1	169.7	72.3	0	0	0	0	111.2	T486	S484-T486 PolarHBondContact O-N 3.47Å; S484-T486 VanDerWaalsContact O-N 3.14Å; S484-T486 VanDerWaalsContact OG-CB 3.31Å; S484-T486 WeakPolarHBondContact OG-CB 3.46Å; S484-T486 PolarHBondContact OG-N 3.05Å; S484-T486 PolarHBondContact OG-OG1 3Å
485	D	87.9	Confident	94.1	Very high	182 Å²	182	49.4 Å²	49.4	97%	0.973	28%	0.284	S	S	*	.	S	Bend	trans	-75	10.3	173.4	-59.8	-31.3	0	0	0	112.8
486	T	90.9	Very high	94.2	Very high	59 Å²	59	49.4 Å²	49.4	36%	0.362	28%	0.284	S	S	.	.	S	Bend	trans	-80.5	149	177.9	-52.8	0	0	0	0	109.6	S484 M490	S484-T486 PolarHBondContact O-N 3.47Å; S484-T486 VanDerWaalsContact O-N 3.14Å; S484-T486 VanDerWaalsContact OG-CB 3.31Å; S484-T486 WeakPolarHBondContact OG-CB 3.46Å; S484-T486 PolarHBondContact OG-N 3.05Å; S484-T486 PolarHBondContact OG-OG1 3Å; T486-M490 HydrophobicContact CG2-CB 3.77Å; T486-M490 HydrophobicContact CG2-CE 4.41Å
487	D	94.4	Very high	94.3	Very high	73 Å²	73	47.6 Å²	47.6	39%	0.39	27%	0.267	S	S	.	.			trans	-47.8	133.4	169.7	169.7	-98.8	0	0	0	111.4	D489 M490 A491	D487-D489 VanDerWaalsContact C-N 3.31Å; D487-D489 PolarHBondContact O-N 2.98Å; D487-D489 WeakPolarHBondContact OD1-CB 3.38Å; D487-D489 PolarHBondContact OD1-N 3.23Å; D487-D489 VanDerWaalsContact OD1-N 3.11Å; D487-M490 HydrophobicContact CB-CB 4.14Å; D487-M490 HydrophobicContact CB-CG 4.08Å; D487-M490 HydrophobicContact CB-SD 4.08Å; D487-M490 WeakPolarHBondContact O-CB 3.3Å; D487-M490 PolarHBondContact O-N 3.26Å; D487-M490 VanDerWaalsContact O-N 3.14Å; D487-M490 PolarHBondContact OD1-N 2.82Å; D487-A491 PolarHBondContact O-N 2.99Å
488	P	96.5	Very high	94.3	Very high	34 Å²	34	49.6 Å²	49.6	22%	0.221	28%	0.28	C	S	.	.	H	α-helix	trans	-56.6	-38.3	-174.8	-29.4	36.1	0	0	0	114.8	F481 A491 F492	F481-P488 HydrophobicContact CB-CB 4.2Å; F481-P488 WeakPolarHBondContact CD1-O 3.21Å; F481-P488 WeakPolarHBondContact O-CA 3.31Å; P488-A491 PolarHBondContact O-N 3.17Å; P488-F492 WeakPolarHBondContact O-CB 3.5Å; P488-F492 PolarHBondContact O-N 3.32Å
489	D	96.2	Very high	94.5	Very high	22 Å²	22	48.9 Å²	48.9	12%	0.118	28%	0.28	C	S	.	.	H	α-helix	trans	-73.3	-35.6	-179.5	-68.1	-28.7	0	0	0	111.2	R371 Y459 D487 C493	R371-D489 IonicContact CZ-OD1 3.42Å; R371-D489 IonicContact NE-OD1 3.44Å; R371-D489 IonicContact NH2-OD1 3.52Å; Y459-D489 HydrophobicContact CE2-CB 4.19Å; Y459-D489 WeakPolarHBondContact OH-CB 3.48Å; D487-D489 VanDerWaalsContact C-N 3.31Å; D487-D489 PolarHBondContact O-N 2.98Å; D487-D489 WeakPolarHBondContact OD1-CB 3.38Å; D487-D489 PolarHBondContact OD1-N 3.23Å; D487-D489 VanDerWaalsContact OD1-N 3.11Å; D489-C493 PolarHBondContact O-N 3.05Å; D489-C493 PolarHBondContact O-SG 3.25Å
490	M	97.2	Very high	94.6	Very high	21 Å²	21	46.1 Å²	46.1	10%	0.103	28%	0.276	C	S	.	.	H	α-helix	trans	-64.9	-42.9	170.9	-70.6	-177.8	60.6	0	0	111.9	W428 E435 Y436 Y459 T486 D487 C493 K494	W428-M490 HydrophobicContact CH2-CE 4.34Å; W428-M490 HydrophobicContact CH2-CG 3.96Å; W428-M490 HydrophobicContact CH2-SD 3.82Å; W428-M490 HydrophobicContact CZ3-CE 4.38Å; W428-M490 HydrophobicContact CZ3-CG 4.41Å; W428-M490 HydrophobicContact CZ3-SD 4.41Å; E435-M490 WeakPolarHBondContact O-CE 3.17Å; Y436-M490 HydrophobicContact CD1-CE 4.24Å; Y436-M490 HydrophobicContact CD1-SD 4.35Å; Y436-M490 HydrophobicContact CD2-CE 4.21Å; Y436-M490 HydrophobicContact CE1-CE 4.23Å; Y436-M490 HydrophobicContact CE1-SD 4.12Å; Y436-M490 HydrophobicContact CE2-CE 4.19Å; Y436-M490 HydrophobicContact CG-CE 4.23Å; Y459-M490 HydrophobicContact CD2-CG 4.44Å; Y459-M490 HydrophobicContact CE2-CG 3.93Å; T486-M490 HydrophobicContact CG2-CB 3.77Å; T486-M490 HydrophobicContact CG2-CE 4.41Å; D487-M490 HydrophobicContact CB-CB 4.14Å; D487-M490 HydrophobicContact CB-CG 4.08Å; D487-M490 HydrophobicContact CB-SD 4.08Å; D487-M490 WeakPolarHBondContact O-CB 3.3Å; D487-M490 PolarHBondContact O-N 3.26Å; D487-M490 VanDerWaalsContact O-N 3.14Å; D487-M490 PolarHBondContact OD1-N 2.82Å; M490-C493 PolarHBondContact O-N 3.43Å; M490-K494 WeakPolarHBondContact O-CB 3.11Å; M490-K494 PolarHBondContact O-N 3.29Å
491	A	97.6	Very high	94.7	Very high	9 Å²	9	46.3 Å²	46.3	7%	0.074	28%	0.277	C	S	.	.	H	α-helix	trans	-61.2	-44.3	176.3	0	0	0	0	0	111.5	V480 D487 P488 K494 S495	V480-A491 CarbonylContact O-C 3.49Å; D487-A491 PolarHBondContact O-N 2.99Å; P488-A491 PolarHBondContact O-N 3.17Å; A491-K494 PolarHBondContact O-N 3.16Å; A491-S495 WeakPolarHBondContact O-CB 3.3Å; A491-S495 PolarHBondContact O-N 3.46Å; A491-S495 PolarHBondContact O-OG 3.21Å; A491-S495 VanDerWaalsContact O-OG 3.09Å
492	F	98.4	Very high	94.7	Very high	0 Å²	0	47 Å²	47	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-55.7	-54.5	172.3	159	-101.1	0	0	0	111.8	M375 I460 Y464 I466 V480 F481 P488 K494 S495 F496	M375-F492 HydrophobicContact CE-CD2 4.1Å; M375-F492 HydrophobicContact CE-CE2 3.88Å; I460-F492 HydrophobicContact CG1-CE1 4.17Å; Y464-F492 HydrophobicContact CD1-CE1 4.48Å; Y464-F492 AromaticContact CD2-CZ 3.97Å; Y464-F492 HydrophobicContact CD2-CZ 3.97Å; Y464-F492 HydrophobicContact CE1-CE1 4.21Å; Y464-F492 HydrophobicContact CE1-CZ 4.43Å; Y464-F492 HydrophobicContact CE2-CE1 4.29Å; Y464-F492 HydrophobicContact CE2-CE2 4.03Å; Y464-F492 AromaticContact CE2-CZ 3.71Å; Y464-F492 HydrophobicContact CE2-CZ 3.71Å; Y464-F492 HydrophobicContact CG-CZ 4.42Å; Y464-F492 AromaticContact CZ-CZ 3.98Å; I466-F492 HydrophobicContact CD1-CE2 3.72Å; I466-F492 HydrophobicContact CD1-CZ 3.98Å; V480-F492 HydrophobicContact CG1-CB 4.48Å; V480-F492 HydrophobicContact CG1-CD2 3.89Å; V480-F492 WeakPolarHBondContact O-CA 3.25Å; V480-F492 PolarHBondContact O-N 3.36Å; F481-F492 HydrophobicContact CD1-CB 3.48Å; F481-F492 VanDerWaalsContact CD1-CB 3.48Å; F481-F492 HydrophobicContact CD1-CG 4.2Å; F481-F492 HydrophobicContact CE1-CB 3.34Å; F481-F492 HydrophobicContact CE1-CD1 4.33Å; F481-F492 AromaticContact CE1-CD2 3.69Å; F481-F492 HydrophobicContact CE1-CD2 3.69Å; F481-F492 AromaticContact CE1-CG 3.53Å; F481-F492 HydrophobicContact CE1-CG 3.53Å; F481-F492 HydrophobicContact CE2-CD2 4.08Å; F481-F492 HydrophobicContact CG-CB 4.19Å; F481-F492 HydrophobicContact CZ-CB 3.96Å; F481-F492 AromaticContact CZ-CD2 3.41Å; F481-F492 HydrophobicContact CZ-CD2 3.41Å; F481-F492 VanDerWaalsContact CZ-CD2 3.41Å; F481-F492 HydrophobicContact CZ-CE2 4.08Å; F481-F492 AromaticContact CZ-CG 3.8Å; F481-F492 HydrophobicContact CZ-CG 3.8Å; P488-F492 WeakPolarHBondContact O-CB 3.5Å; P488-F492 PolarHBondContact O-N 3.32Å; F492-K494 PolarHBondContact O-N 2.94Å; F492-S495 WeakPolarHBondContact O-CB 3.39Å; F492-S495 PolarHBondContact O-N 3.33Å; F492-F496 AromaticContact CD2-CD2 3.94Å; F492-F496 HydrophobicContact CD2-CD2 3.94Å; F492-F496 AromaticContact CD2-CE2 3.61Å; F492-F496 HydrophobicContact CD2-CE2 3.61Å; F492-F496 AromaticContact CE2-CD2 3.69Å; F492-F496 HydrophobicContact CE2-CD2 3.69Å; F492-F496 AromaticContact CE2-CE2 3.18Å; F492-F496 HydrophobicContact CE2-CE2 3.18Å; F492-F496 AromaticContact CE2-CZ 3.94Å; F492-F496 HydrophobicContact CE2-CZ 3.94Å; F492-F496 HydrophobicContact CZ-CD2 4.22Å; F492-F496 AromaticContact CZ-CE2 3.99Å; F492-F496 HydrophobicContact CZ-CE2 3.99Å; F492-F496 WeakPolarHBondContact O-CD2 3.35Å; F492-F496 PolarHBondContact O-N 2.9Å
493	C	98.4	Very high	95	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-59.9	-40.2	-179.1	-68.5	0	0	0	0	111.2	Y459 I460 D489 M490 F496 R497 L503	Y459-C493 HydrophobicContact CD2-CB 4.01Å; Y459-C493 WeakPolarHBondContact CD2-SG 3.48Å; I460-C493 PolarHBondContact N-SG 2.94Å; I460-C493 VanDerWaalsContact N-SG 3.44Å; I460-C493 PolarHBondContact O-SG 3.26Å; D489-C493 PolarHBondContact O-N 3.05Å; D489-C493 PolarHBondContact O-SG 3.25Å; M490-C493 PolarHBondContact O-N 3.43Å; C493-F496 PolarHBondContact O-N 3.48Å; C493-R497 VanDerWaalsContact CB-NH1 3.31Å; C493-R497 VanDerWaalsContact O-CG 3.32Å; C493-R497 WeakPolarHBondContact O-CG 3.31Å; C493-R497 PolarHBondContact O-N 2.83Å; C493-R497 VanDerWaalsContact O-N 3.09Å; C493-L503 HydrophobicContact CB-CD1 3.77Å
494	K	96.9	Very high	95.9	Very high	68 Å²	68	42.7 Å²	42.7	30%	0.296	24%	0.237	S	C	.	.	H	α-helix	trans	-64.1	-43	178.2	-167.6	-178.4	-174.2	-48.8	0	112	E435 M490 A491 F492 F496 R497 D498	E435-K494 WeakPolarHBondContact OE2-CE 3.32Å; M490-K494 WeakPolarHBondContact O-CB 3.11Å; M490-K494 PolarHBondContact O-N 3.29Å; A491-K494 PolarHBondContact O-N 3.16Å; F492-K494 PolarHBondContact O-N 2.94Å; K494-F496 VanDerWaalsContact C-N 3.27Å; K494-F496 PolarHBondContact O-N 3.17Å; K494-R497 PolarHBondContact O-N 2.89Å; K494-R497 VanDerWaalsContact O-N 3.11Å; K494-D498 IonicContact NZ-OD1 3.76Å; K494-D498 PolarHBondContact NZ-OD1 3.08Å; K494-D498 IonicContact NZ-OD2 3.96Å; K494-D498 PolarHBondContact NZ-OD2 2.88Å; K494-D498 WeakPolarHBondContact O-CB 3.36Å; K494-D498 VanDerWaalsContact O-CG 3.32Å; K494-D498 PolarHBondContact O-N 3.23Å
495	S	97.2	Very high	96.5	Very high	22 Å²	22	39.6 Å²	39.6	15%	0.154	22%	0.215	C	C	.	.	H	α-helix	trans	-54.3	-41.7	177.2	-71.9	0	0	0	0	112.5	V480 A491 F492	V480-S495 PolarHBondContact O-OG 3.16Å; A491-S495 WeakPolarHBondContact O-CB 3.3Å; A491-S495 PolarHBondContact O-N 3.46Å; A491-S495 PolarHBondContact O-OG 3.21Å; A491-S495 VanDerWaalsContact O-OG 3.09Å; F492-S495 WeakPolarHBondContact O-CB 3.39Å; F492-S495 PolarHBondContact O-N 3.33Å
496	F	98	Very high	97	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-72.7	-41.8	175.8	-79.9	-97.6	0	0	0	112.8	V412 I466 T470 L471 L475 V480 F492 C493 K494 D498 K499 G500 I501 L503	V412-F496 HydrophobicContact CG2-CD1 3.48Å; V412-F496 VanDerWaalsContact CG2-CD1 3.48Å; V412-F496 HydrophobicContact CG2-CE1 3.23Å; V412-F496 HydrophobicContact CG2-CG 4.48Å; V412-F496 HydrophobicContact CG2-CZ 4.09Å; I466-F496 HydrophobicContact CD1-CE2 4.47Å; I466-F496 HydrophobicContact CD1-CZ 3.94Å; I466-F496 HydrophobicContact CG2-CE1 4.34Å; I466-F496 HydrophobicContact CG2-CZ 4.22Å; T470-F496 HydrophobicContact CG2-CE1 4.21Å; L471-F496 HydrophobicContact CD2-CZ 4.28Å; L475-F496 HydrophobicContact CD1-CD1 3.44Å; L475-F496 VanDerWaalsContact CD1-CD1 3.44Å; L475-F496 HydrophobicContact CD1-CD2 3.5Å; L475-F496 VanDerWaalsContact CD1-CD2 3.5Å; L475-F496 HydrophobicContact CD1-CE1 3.25Å; L475-F496 HydrophobicContact CD1-CE2 3.29Å; L475-F496 HydrophobicContact CD1-CG 3.58Å; L475-F496 HydrophobicContact CD1-CZ 3.18Å; V480-F496 HydrophobicContact CG1-CE2 4.29Å; F492-F496 AromaticContact CD2-CD2 3.94Å; F492-F496 HydrophobicContact CD2-CD2 3.94Å; F492-F496 AromaticContact CD2-CE2 3.61Å; F492-F496 HydrophobicContact CD2-CE2 3.61Å; F492-F496 AromaticContact CE2-CD2 3.69Å; F492-F496 HydrophobicContact CE2-CD2 3.69Å; F492-F496 AromaticContact CE2-CE2 3.18Å; F492-F496 HydrophobicContact CE2-CE2 3.18Å; F492-F496 AromaticContact CE2-CZ 3.94Å; F492-F496 HydrophobicContact CE2-CZ 3.94Å; F492-F496 HydrophobicContact CZ-CD2 4.22Å; F492-F496 AromaticContact CZ-CE2 3.99Å; F492-F496 HydrophobicContact CZ-CE2 3.99Å; F492-F496 WeakPolarHBondContact O-CD2 3.35Å; F492-F496 PolarHBondContact O-N 2.9Å; C493-F496 PolarHBondContact O-N 3.48Å; K494-F496 VanDerWaalsContact C-N 3.27Å; K494-F496 PolarHBondContact O-N 3.17Å; F496-D498 VanDerWaalsContact C-N 3.35Å; F496-D498 PolarHBondContact O-N 3.25Å; F496-K499 PolarHBondContact O-N 3.27Å; F496-G500 PolarHBondContact O-N 3.01Å; F496-I501 HydrophobicContact CB-CB 4.33Å; F496-I501 HydrophobicContact CD1-CB 3.88Å; F496-I501 HydrophobicContact CD1-CD1 3.78Å; F496-I501 HydrophobicContact CD1-CG1 4.47Å; F496-I501 HydrophobicContact CD1-CG2 3.67Å; F496-I501 HydrophobicContact CE1-CD1 4.22Å; F496-I501 HydrophobicContact CE1-CG2 4.34Å; F496-I501 PolarHBondContact O-N 2.89Å; F496-L503 HydrophobicContact CB-CD2 3.75Å; F496-L503 HydrophobicContact CB-CG 4.4Å; F496-L503 HydrophobicContact CD1-CD2 4.37Å; F496-L503 HydrophobicContact CG-CD2 4Å
497	R	96.8	Very high	97.4	Very high	44 Å²	44	28.1 Å²	28.1	17%	0.166	15%	0.151	C	C	.	.	H	α-helix	trans	-61.2	-41.9	176.9	-69.4	-168.8	-52.2	-93.8	3.9	112.3	P458 C493 K494 K499 G500	P458-R497 PolarHBondContact O-NH1 3.25Å; C493-R497 VanDerWaalsContact CB-NH1 3.31Å; C493-R497 VanDerWaalsContact O-CG 3.32Å; C493-R497 WeakPolarHBondContact O-CG 3.31Å; C493-R497 PolarHBondContact O-N 2.83Å; C493-R497 VanDerWaalsContact O-N 3.09Å; K494-R497 PolarHBondContact O-N 2.89Å; K494-R497 VanDerWaalsContact O-N 3.11Å; R497-K499 PolarHBondContact O-N 2.76Å; R497-G500 PolarHBondContact O-N 2.8Å
498	D	95.3	Very high	97.5	Very high	106 Å²	106	26.6 Å²	26.6	57%	0.567	14%	0.142	S	C	*	.	H	α-helix	trans	-63.2	-25.2	178.9	-72.9	-2.2	0	0	0	111.9	K494 F496	K494-D498 IonicContact NZ-OD1 3.76Å; K494-D498 PolarHBondContact NZ-OD1 3.08Å; K494-D498 IonicContact NZ-OD2 3.96Å; K494-D498 PolarHBondContact NZ-OD2 2.88Å; K494-D498 WeakPolarHBondContact O-CB 3.36Å; K494-D498 VanDerWaalsContact O-CG 3.32Å; K494-D498 PolarHBondContact O-N 3.23Å; F496-D498 VanDerWaalsContact C-N 3.35Å; F496-D498 PolarHBondContact O-N 3.25Å
499	K	95.9	Very high	97.5	Very high	115 Å²	115	28.5 Å²	28.5	50%	0.5	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-0.5	173	-63.2	-59.4	-173.8	-178.7	0	114.1	L475 F496 R497 I501	L475-K499 HydrophobicContact CD2-CG 3.65Å; L475-K499 HydrophobicContact CG-CG 4.24Å; F496-K499 PolarHBondContact O-N 3.27Å; R497-K499 PolarHBondContact O-N 2.76Å; K499-I501 HydrophobicContact CB-CD1 3.86Å; K499-I501 HydrophobicContact CB-CG1 4.03Å; K499-I501 PolarHBondContact O-N 3.49Å
500	G	96.4	Very high	97.5	Very high	42 Å²	42	33.9 Å²	33.9	43%	0.433	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.9	21.2	-176.2	0	0	0	0	0	113.8	F496 R497	F496-G500 PolarHBondContact O-N 3.01Å; R497-G500 PolarHBondContact O-N 2.8Å
501	I	98.4	Very high	97.6	Very high	4 Å²	4	33 Å²	33	2%	0.021	17%	0.168	C	C	.	.			trans	-85.2	131.5	174.9	-57.3	162.5	0	0	0	108.3	E49 K411 V412 T470 E474 L475 F496 K499	E49-I501 WeakPolarHBondContact OE2-CA 3.22Å; K411-I501 HydrophobicContact CB-CG2 4.02Å; K411-I501 HydrophobicContact CD-CG2 4.07Å; V412-I501 HydrophobicContact CG2-CG2 4.09Å; T470-I501 HydrophobicContact CG2-CD1 3.75Å; T470-I501 HydrophobicContact CG2-CG2 4.48Å; E474-I501 HydrophobicContact CB-CD1 3.89Å; L475-I501 HydrophobicContact CD1-CD1 3.9Å; L475-I501 HydrophobicContact CG-CD1 4.08Å; F496-I501 HydrophobicContact CB-CB 4.33Å; F496-I501 HydrophobicContact CD1-CB 3.88Å; F496-I501 HydrophobicContact CD1-CD1 3.78Å; F496-I501 HydrophobicContact CD1-CG1 4.47Å; F496-I501 HydrophobicContact CD1-CG2 3.67Å; F496-I501 HydrophobicContact CE1-CD1 4.22Å; F496-I501 HydrophobicContact CE1-CG2 4.34Å; F496-I501 PolarHBondContact O-N 2.89Å; K499-I501 HydrophobicContact CB-CD1 3.86Å; K499-I501 HydrophobicContact CB-CG1 4.03Å; K499-I501 PolarHBondContact O-N 3.49Å
502	F	98.6	Very high	97.6	Very high	16 Å²	16	33.5 Å²	33.5	7%	0.07	17%	0.174	C	C	.	.			trans	-79.8	133.9	-178.9	-67.4	-5.6	0	0	0	111.1	E49 N456 H504	E49-F502 HydrophobicContact CB-CD1 4.26Å; E49-F502 HydrophobicContact CB-CD2 3.58Å; E49-F502 HydrophobicContact CB-CE1 4.34Å; E49-F502 HydrophobicContact CB-CE2 3.67Å; E49-F502 HydrophobicContact CB-CG 3.9Å; E49-F502 HydrophobicContact CB-CZ 4.06Å; E49-F502 HydrophobicContact CG-CD2 4.48Å; E49-F502 PolarHBondContact OE2-N 3.24Å; N456-F502 VanDerWaalsContact ND2-CD1 3.3Å; N456-F502 WeakPolarHBondContact ND2-CD1 3.24Å; N456-F502 WeakPolarHBondContact ND2-CD2 3.32Å; N456-F502 WeakPolarHBondContact ND2-CE2 3.38Å; N456-F502 WeakPolarHBondContact ND2-CG 3.39Å; F502-H504 WeakPolarHBondContact CB-CE1 3.23Å; F502-H504 PolarHBondContact O-ND1 3.43Å
503	L	98.8	Very high	97.6	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.005	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	105.7	170.3	-56.1	173.6	0	0	0	107.6	V412 V457 P458 I460 C493 F496	V412-L503 HydrophobicContact CB-CD2 4.16Å; V412-L503 HydrophobicContact CG1-CD2 3.78Å; V412-L503 HydrophobicContact CG2-CD2 4.37Å; V457-L503 PolarHBondContact N-O 3.49Å; V457-L503 WeakPolarHBondContact O-CB 3.45Å; P458-L503 WeakPolarHBondContact O-CD1 3.39Å; I460-L503 HydrophobicContact CD1-CB 4.11Å; I460-L503 HydrophobicContact CD1-CD2 4.09Å; I460-L503 HydrophobicContact CG1-CB 4.25Å; I460-L503 HydrophobicContact CG1-CD1 4.46Å; I460-L503 HydrophobicContact CG1-CD2 4.38Å; I460-L503 HydrophobicContact CG2-CB 4.41Å; C493-L503 HydrophobicContact CB-CD1 3.77Å; F496-L503 HydrophobicContact CB-CD2 3.75Å; F496-L503 HydrophobicContact CB-CG 4.4Å; F496-L503 HydrophobicContact CD1-CD2 4.37Å; F496-L503 HydrophobicContact CG-CD2 4Å
504	H	98.7	Very high	97.7	Very high	13 Å²	13	35.1 Å²	35.1	6%	0.06	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	147.4	-179.4	-61.1	87.4	0	0	0	111.5	E49 R410 V412 I413 A414 V454 W455 F502	E49-H504 IonicContact OE1-CE1 3.38Å; E49-H504 PolarHBondContact OE1-CE1 3.44Å; R410-H504 HydrophobicContact CG-CB 4.31Å; V412-H504 VanDerWaalsContact O-CB 3.3Å; V412-H504 WeakPolarHBondContact O-CB 3.21Å; V412-H504 PolarHBondContact O-N 2.9Å; V412-H504 PolarHBondContact O-ND1 3.42Å; V412-H504 VanDerWaalsContact O-ND1 3.11Å; I413-H504 CarbonylContact C-O 3.59Å; I413-H504 VanDerWaalsContact CA-O 3.29Å; I413-H504 WeakPolarHBondContact CA-O 3.27Å; I413-H504 HydrophobicContact CB-CB 4.09Å; I413-H504 HydrophobicContact CD1-CB 4.46Å; I413-H504 HydrophobicContact CG1-CB 3.91Å; A414-H504 PolarHBondContact N-O 2.76Å; V454-H504 HydrophobicContact CG1-CB 3.81Å; W455-H504 CarbonylContact O-C 3.45Å; W455-H504 VanDerWaalsContact O-CA 3.27Å; W455-H504 WeakPolarHBondContact O-CA 3.41Å; F502-H504 WeakPolarHBondContact CB-CE1 3.23Å; F502-H504 PolarHBondContact O-ND1 3.43Å
505	L	98.8	Very high	97.7	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	127.8	172.6	-178.8	81.6	0	0	0	109.3	A414 M416 F427 V454 W455 V457 I460	A414-L505 HydrophobicContact CB-CD1 3.97Å; A414-L505 CarbonylContact O-C 3.51Å; A414-L505 WeakPolarHBondContact O-CA 3.45Å; M416-L505 HydrophobicContact CB-CD1 4.07Å; M416-L505 HydrophobicContact CB-CD2 4.28Å; M416-L505 HydrophobicContact CB-CG 4.15Å; M416-L505 HydrophobicContact CG-CD2 4.21Å; F427-L505 HydrophobicContact CB-CD1 3.94Å; F427-L505 HydrophobicContact CB-CD2 3.97Å; F427-L505 HydrophobicContact CB-CG 4.49Å; F427-L505 HydrophobicContact CD1-CD1 4.26Å; F427-L505 HydrophobicContact CD1-CD2 3.4Å; F427-L505 VanDerWaalsContact CD1-CD2 3.4Å; F427-L505 HydrophobicContact CD1-CG 4.46Å; F427-L505 HydrophobicContact CD2-CD2 3.58Å; F427-L505 HydrophobicContact CE1-CD2 3.65Å; F427-L505 HydrophobicContact CE2-CD2 3.82Å; F427-L505 HydrophobicContact CG-CD1 4.21Å; F427-L505 HydrophobicContact CG-CD2 3.36Å; F427-L505 HydrophobicContact CG-CG 4.35Å; F427-L505 HydrophobicContact CZ-CD2 3.85Å; V454-L505 CarbonylContact C-O 3.47Å; V454-L505 VanDerWaalsContact CA-O 3.29Å; V454-L505 WeakPolarHBondContact CA-O 3.46Å; W455-L505 PolarHBondContact N-O 3.45Å; W455-L505 PolarHBondContact O-N 3.17Å; V457-L505 HydrophobicContact CG1-CB 4.41Å; V457-L505 HydrophobicContact CG2-CB 3.95Å; I460-L505 HydrophobicContact CG2-CD1 4.48Å
506	S	98.5	Very high	97.8	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	126.7	173.8	-173.6	0	0	0	0	111	A414 M416 F511	A414-S506 PolarHBondContact O-N 3.3Å; M416-S506 VanDerWaalsContact CB-O 3.32Å; M416-S506 WeakPolarHBondContact CB-O 3.38Å; M416-S506 PolarHBondContact N-O 2.79Å; S506-F511 VanDerWaalsContact O-CE2 3.24Å; S506-F511 WeakPolarHBondContact O-CE2 3.5Å
507	N	98.4	Very high	97.7	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.17	C	C	.	.			trans	-119.4	15.6	166.3	71.6	-15.7	0	0	0	112.2	M416 L446 R449 R451 V452 G453 W455 H509	M416-N507 HydrophobicContact CB-CB 3.8Å; M416-N507 HydrophobicContact CE-CB 3.78Å; M416-N507 HydrophobicContact CG-CB 4.29Å; M416-N507 HydrophobicContact SD-CB 3.52Å; M416-N507 VanDerWaalsContact SD-CB 3.52Å; L446-N507 PolarHBondContact O-ND2 2.68Å; R449-N507 PolarHBondContact NE-O 3.38Å; R449-N507 VanDerWaalsContact NE-O 3.12Å; R449-N507 PolarHBondContact NH2-O 2.88Å; R451-N507 PolarHBondContact O-ND2 2.86Å; V452-N507 VanDerWaalsContact CA-OD1 3.28Å; V452-N507 WeakPolarHBondContact CA-OD1 3.48Å; G453-N507 PolarHBondContact N-OD1 3.08Å; G453-N507 PolarHBondContact O-N 2.68Å; G453-N507 VanDerWaalsContact O-N 3.11Å; G453-N507 PolarHBondContact O-OD1 2.86Å; W455-N507 PolarHBondContact NE1-OD1 3.3Å; N507-H509 PolarHBondContact O-N 3.08Å
508	Q	96.1	Very high	97.3	Very high	42 Å²	42	35 Å²	35	20%	0.196	20%	0.195	C	C	.	.	S	Bend	trans	-59.3	-34	178.3	-70.2	-174.5	91.3	0	0	112.7	C281 E408 R449 V454	C281-Q508 VanDerWaalsContact CB-OE1 3.23Å; E408-Q508 PolarHBondContact OE1-NE2 3.03Å; R449-Q508 VanDerWaalsContact NH2-C 3.32Å; R449-Q508 PolarHBondContact NH2-O 3.06Å; V454-Q508 VanDerWaalsContact CG2-NE2 3.29Å
509	H	96.6	Very high	97.1	Very high	74 Å²	74	40.5 Å²	40.5	34%	0.343	21%	0.207	S	C	.	.	S	Bend	trans	-117.3	161.3	176.5	-59.3	-87.9	0	0	0	110.4	R449 N507 F511	R449-H509 PolarHBondContact NH2-O 3.3Å; N507-H509 PolarHBondContact O-N 3.08Å; H509-F511 HydrophobicContact CB-CD1 4.48Å; H509-F511 HydrophobicContact CB-CD2 4.5Å; H509-F511 HydrophobicContact CB-CE1 4.08Å; H509-F511 HydrophobicContact CB-CE2 4.07Å; H509-F511 HydrophobicContact CB-CZ 3.87Å; H509-F511 WeakPolarHBondContact O-CD2 3.36Å; H509-F511 PolarHBondContact O-N 3.34Å
510	E	97.6	Very high	97.1	Very high	135 Å²	135	36.3 Å²	36.3	63%	0.631	19%	0.189	S	C	*	.			trans	-79.3	115.1	161.1	-59.8	-164.9	167.8	0	0	106.7	N398 R449	N398-E510 VanDerWaalsContact CB-O 3.22Å; N398-E510 WeakPolarHBondContact CB-O 3.41Å; N398-E510 PolarHBondContact ND2-O 2.9Å; R449-E510 IonicContact NH1-OE1 2.83Å; R449-E510 PolarHBondContact NH1-OE1 2.88Å
511	F	98.5	Very high	97.1	Very high	1 Å²	1	37.8 Å²	37.8	0%	0.004	19%	0.187	C	C	.	.			trans	-96.4	-36.2	-179.1	-67.7	-74.2	0	0	0	111.9	L396 T397 N398 T401 I404 L405 P415 L417 S506 H509	L396-F511 CarbonylContact C-O 3.57Å; L396-F511 WeakPolarHBondContact CA-O 3.4Å; T397-F511 PolarHBondContact N-O 3.04Å; T397-F511 PolarHBondContact OG1-O 3.07Å; N398-F511 PolarHBondContact N-O 3.15Å; T401-F511 HydrophobicContact CG2-CD1 3.86Å; T401-F511 HydrophobicContact CG2-CE1 4.43Å; I404-F511 HydrophobicContact CB-CE1 4.15Å; I404-F511 HydrophobicContact CD1-CE1 4.1Å; I404-F511 HydrophobicContact CG2-CE1 3.8Å; I404-F511 HydrophobicContact CG2-CZ 3.89Å; L405-F511 HydrophobicContact CD2-CZ 4.41Å; P415-F511 HydrophobicContact CB-CB 3.6Å; P415-F511 HydrophobicContact CB-CD1 3.78Å; P415-F511 HydrophobicContact CB-CD2 3.55Å; P415-F511 HydrophobicContact CB-CE1 4.3Å; P415-F511 HydrophobicContact CB-CE2 4.11Å; P415-F511 HydrophobicContact CB-CG 3.35Å; P415-F511 HydrophobicContact CB-CZ 4.44Å; L417-F511 HydrophobicContact CD2-CB 3.98Å; S506-F511 VanDerWaalsContact O-CE2 3.24Å; S506-F511 WeakPolarHBondContact O-CE2 3.5Å; H509-F511 HydrophobicContact CB-CD1 4.48Å; H509-F511 HydrophobicContact CB-CD2 4.5Å; H509-F511 HydrophobicContact CB-CE1 4.08Å; H509-F511 HydrophobicContact CB-CE2 4.07Å; H509-F511 HydrophobicContact CB-CZ 3.87Å; H509-F511 WeakPolarHBondContact O-CD2 3.36Å; H509-F511 PolarHBondContact O-N 3.34Å
512	G	98.2	Very high	96.9	Very high	20 Å²	20	40.1 Å²	40.1	21%	0.206	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	163.3	-158.7	-172.9	0	0	0	0	0	113.6	V395 T397	V395-G512 CarbonylContact O-C 3.55Å; V395-G512 WeakPolarHBondContact O-CA 3.27Å; T397-G512 WeakPolarHBondContact OG1-CA 3.47Å
513	R	98.6	Very high	96.8	Very high	26 Å²	26	47.9 Å²	47.9	10%	0.098	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	167.7	-177.9	60.7	-176.1	175.2	-98.2	1.1	111.2	V395 S418 D538 E541	V395-R513 HydrophobicContact CB-CG 3.85Å; V395-R513 HydrophobicContact CG1-CG 4.34Å; V395-R513 HydrophobicContact CG2-CG 4.49Å; V395-R513 PolarHBondContact N-O 2.9Å; V395-R513 PolarHBondContact O-N 3.06Å; S418-R513 VanDerWaalsContact O-CA 3.25Å; S418-R513 WeakPolarHBondContact O-CA 3.24Å; S418-R513 WeakPolarHBondContact O-CB 3.28Å; R513-D538 IonicContact CZ-OD1 2.69Å; R513-D538 VanDerWaalsContact CZ-OD1 3.27Å; R513-D538 IonicContact CZ-OD2 3.77Å; R513-D538 VanDerWaalsContact NE-CG 3.34Å; R513-D538 IonicContact NE-OD1 3.83Å; R513-D538 PolarHBondContact NE-OD1 3.17Å; R513-D538 VanDerWaalsContact NE-OD1 3.08Å; R513-D538 IonicContact NE-OD2 2.91Å; R513-D538 PolarHBondContact NE-OD2 3.39Å; R513-D538 VanDerWaalsContact NH2-CG 3.33Å; R513-D538 IonicContact NH2-OD1 3.97Å; R513-D538 PolarHBondContact NH2-OD1 3.24Å; R513-D538 IonicContact NH2-OD2 3.69Å; R513-E541 IonicContact CZ-OE1 4Å; R513-E541 IonicContact NH1-OE1 2.88Å; R513-E541 PolarHBondContact NH1-OE1 2.99Å; R513-E541 VanDerWaalsContact NH2-CD 3.32Å; R513-E541 IonicContact NH2-OE1 3.44Å; R513-E541 PolarHBondContact NH2-OE1 3.43Å; R513-E541 IonicContact NH2-OE2 3.95Å; R513-E541 PolarHBondContact NH2-OE2 3.3Å
514	L	98.8	Very high	96.6	Very high	9 Å²	9	50 Å²	50	5%	0.047	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	136.1	172.6	-64.6	175.1	0	0	0	110.7	D393 A394 L417 S418 N426 Q462	D393-L514 WeakPolarHBondContact O-CA 3.39Å; A394-L514 HydrophobicContact CB-CD2 4.49Å; L417-L514 HydrophobicContact CB-CD2 3.8Å; L417-L514 HydrophobicContact CB-CG 3.8Å; L417-L514 HydrophobicContact CD1-CD2 4.02Å; S418-L514 PolarHBondContact O-N 2.99Å; S418-L514 VanDerWaalsContact O-N 3.08Å; N426-L514 HydrophobicContact CB-CD1 4.11Å; Q462-L514 HydrophobicContact CB-CD2 4.06Å; Q462-L514 HydrophobicContact CG-CD2 3.89Å
515	L	98.6	Very high	96.5	Very high	3 Å²	3	53.2 Å²	53.2	2%	0.016	27%	0.265	C	S	.	.			trans	-70.2	158.6	170.5	-63.1	177.8	0	0	0	111.3	T307 P308 F309 D393 V395 R419 N535 D538	T307-L515 HydrophobicContact CG2-CD1 4.01Å; P308-L515 VanDerWaalsContact O-CD1 3.24Å; P308-L515 WeakPolarHBondContact O-CD1 3.37Å; F309-L515 HydrophobicContact CD2-CD1 4.43Å; F309-L515 HydrophobicContact CD2-CD2 4.2Å; D393-L515 HydrophobicContact CB-CB 4.26Å; D393-L515 PolarHBondContact O-N 3.17Å; V395-L515 HydrophobicContact CG2-CD1 4.08Å; V395-L515 HydrophobicContact CG2-CD2 3.77Å; V395-L515 HydrophobicContact CG2-CG 3.69Å; R419-L515 PolarHBondContact NE-O 3.4Å; R419-L515 PolarHBondContact NH2-O 3.35Å; R419-L515 VanDerWaalsContact NH2-O 3.17Å; L515-N535 WeakPolarHBondContact CA-OD1 3.43Å; L515-N535 HydrophobicContact CD2-CB 4.37Å; L515-D538 HydrophobicContact CD2-CB 4.15Å; L515-D538 VanDerWaalsContact CD2-CG 3.49Å
516	A	97.9	Very high	96.5	Very high	9 Å²	9	55.7 Å²	55.7	7%	0.074	28%	0.276	C	S	.	.			trans	-95.5	116.7	163.8	0	0	0	0	0	108.8	D534 N535	A516-D534 HydrophobicContact CB-CB 4.15Å; A516-N535 PolarHBondContact N-OD1 3.33Å; A516-N535 PolarHBondContact O-ND2 3.43Å
517	T	96.6	Very high	96.5	Very high	20 Å²	20	56.1 Å²	56.1	12%	0.123	28%	0.279	C	S	.	.			trans	-111.3	-6.2	-179	56.4	0	0	0	0	113.2	Q305 T307 D393 R519 Y520	Q305-T517 PolarHBondContact NE2-OG1 2.9Å; T307-T517 HydrophobicContact CG2-CG2 3.99Å; D393-T517 HydrophobicContact CB-CG2 3.93Å; T517-R519 PolarHBondContact O-N 3.16Å; T517-Y520 PolarHBondContact O-N 3.09Å
518	S	88.8	Confident	96.5	Very high	99 Å²	99	56.8 Å²	56.8	69%	0.692	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-23.6	-165	-46.5	0	0	0	0	115.5
519	R	90.8	Very high	96.6	Very high	221 Å²	221	54.9 Å²	54.9	83%	0.834	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-142.7	46.2	-179.1	-65.1	-172.5	179.6	-170.3	-1.8	110.6	T517 D521	T517-R519 PolarHBondContact O-N 3.16Å; R519-D521 PolarHBondContact O-N 2.86Å
520	Y	96.5	Very high	96.7	Very high	27 Å²	27	52.6 Å²	52.6	11%	0.106	26%	0.262	C	S	.	.			trans	-74.5	106.3	174.9	-175.9	-137.7	0	0	0	109.4	P306 P308 F337 T517 T522 P527 D528 Q531	P306-Y520 HydrophobicContact CB-CD1 3.78Å; P306-Y520 HydrophobicContact CB-CE1 4.35Å; P308-Y520 HydrophobicContact CB-CD2 4.41Å; P308-Y520 HydrophobicContact CB-CE2 4.23Å; P308-Y520 HydrophobicContact CG-CD1 4.23Å; P308-Y520 HydrophobicContact CG-CD2 3.65Å; P308-Y520 HydrophobicContact CG-CE2 3.96Å; P308-Y520 HydrophobicContact CG-CG 3.8Å; F337-Y520 AromaticContact CE1-CE1 3.76Å; F337-Y520 HydrophobicContact CE1-CE1 3.76Å; F337-Y520 HydrophobicContact CZ-CE1 4.2Å; T517-Y520 PolarHBondContact O-N 3.09Å; Y520-T522 HydrophobicContact CD1-CG2 3.84Å; Y520-T522 HydrophobicContact CE1-CG2 3.91Å; Y520-P527 HydrophobicContact CE2-CB 3.79Å; Y520-D528 PolarHBondContact OH-OD1 3.14Å; Y520-Q531 HydrophobicContact CD2-CG 4.2Å; Y520-Q531 HydrophobicContact CE2-CG 4.02Å
521	D	94.9	Very high	96.7	Very high	74 Å²	74	46.4 Å²	46.4	40%	0.396	23%	0.233	S	C	.	.			trans	-70.3	128.3	173.2	-166.7	-16	0	0	0	108.6	R519 E523 H524 P527	R519-D521 PolarHBondContact O-N 2.86Å; D521-E523 WeakPolarHBondContact OD1-CB 3.39Å; D521-E523 PolarHBondContact OD1-N 3.04Å; D521-H524 IonicContact OD2-NE2 2.73Å; D521-P527 WeakPolarHBondContact O-CB 3.4Å
522	T	95.9	Very high	96.7	Very high	53 Å²	53	46.7 Å²	46.7	33%	0.325	24%	0.235	S	C	.	.			trans	-114.1	6.9	-178.1	52.9	0	0	0	0	112.2	P306 F337 Y520 H524	P306-T522 HydrophobicContact CB-CG2 3.76Å; P306-T522 HydrophobicContact CG-CG2 4.38Å; F337-T522 HydrophobicContact CD1-CG2 4.22Å; F337-T522 HydrophobicContact CD2-CG2 4.26Å; F337-T522 HydrophobicContact CE1-CG2 4.21Å; F337-T522 HydrophobicContact CE2-CG2 4.23Å; F337-T522 HydrophobicContact CG-CG2 4.26Å; F337-T522 HydrophobicContact CZ-CG2 4.22Å; Y520-T522 HydrophobicContact CD1-CG2 3.84Å; Y520-T522 HydrophobicContact CE1-CG2 3.91Å; T522-H524 VanDerWaalsContact C-N 3.27Å; T522-H524 PolarHBondContact O-N 3.15Å
523	E	95.1	Very high	96.7	Very high	178 Å²	178	50.1 Å²	50.1	83%	0.832	24%	0.244	S	C	*	.			trans	-86	7.3	-177.5	-60.3	-170.4	170.3	0	0	113.7	D521	D521-E523 WeakPolarHBondContact OD1-CB 3.39Å; D521-E523 PolarHBondContact OD1-N 3.04Å
524	H	95.4	Very high	96.6	Very high	46 Å²	46	52.4 Å²	52.4	21%	0.213	26%	0.258	C	S	.	.	S	Bend	trans	-98.9	157.8	176.1	-61.3	-62.5	0	0	0	112.1	D521 T522 H526 P527 W530	D521-H524 IonicContact OD2-NE2 2.73Å; T522-H524 VanDerWaalsContact C-N 3.27Å; T522-H524 PolarHBondContact O-N 3.15Å; H524-H526 VanDerWaalsContact C-N 3.35Å; H524-P527 HydrophobicContact CB-CB 4.07Å; H524-P527 HydrophobicContact CB-CG 4.1Å; H524-P527 WeakPolarHBondContact O-CG 3.18Å; H524-W530 HydrophobicContact CB-CE3 4.02Å; H524-W530 HydrophobicContact CB-CH2 4.25Å; H524-W530 HydrophobicContact CB-CZ3 3.72Å; H524-W530 AromaticContact CD2-CD2 3.63Å; H524-W530 AromaticContact CD2-CE2 3.99Å; H524-W530 AromaticContact CD2-CE3 3.66Å; H524-W530 AromaticContact CE1-CD2 3.9Å; H524-W530 AromaticContact CE1-CE2 3.43Å; H524-W530 VanDerWaalsContact CE1-CE2 3.43Å; H524-W530 AromaticContact CE1-CH2 3.87Å; H524-W530 AromaticContact CE1-CZ2 3.45Å; H524-W530 VanDerWaalsContact CE1-CZ2 3.45Å; H524-W530 WeakPolarHBondContact CE1-CZ2 3.39Å; H524-W530 AromaticContact CE1-NE1 3.82Å; H524-W530 AromaticContact CG-CD2 3.97Å; H524-W530 AromaticContact CG-CE3 3.64Å; H524-W530 AromaticContact CG-CH2 3.8Å; H524-W530 AromaticContact CG-CZ3 3.56Å; H524-W530 AromaticContact ND1-CE2 3.83Å; H524-W530 AromaticContact ND1-CH2 3.42Å; H524-W530 WeakPolarHBondContact ND1-CH2 3.19Å; H524-W530 AromaticContact ND1-CZ2 3.51Å; H524-W530 AromaticContact ND1-CZ3 3.72Å; H524-W530 AromaticContact NE2-CD1 3.85Å; H524-W530 AromaticContact NE2-CD2 3.56Å; H524-W530 AromaticContact NE2-CE2 3.51Å; H524-W530 AromaticContact NE2-CG 3.83Å; H524-W530 AromaticContact NE2-CZ2 3.99Å; H524-W530 AromaticContact NE2-NE1 3.71Å
525	L	96.7	Very high	96.6	Very high	81 Å²	81	52.3 Å²	52.3	42%	0.424	26%	0.258	S	S	.	.	S	Bend	trans	-66.2	-41.7	172.6	178.3	66.4	0	0	0	110.7	A581 E582 H585	L525-A581 HydrophobicContact CD2-CB 4.07Å; L525-E582 WeakPolarHBondContact CB-OE2 3.02Å; L525-E582 PolarHBondContact N-OE1 3.48Å; L525-E582 PolarHBondContact N-OE2 3.18Å; L525-H585 HydrophobicContact CD2-CB 3.97Å
526	H	98.1	Very high	96.6	Very high	51 Å²	51	54.4 Å²	54.4	24%	0.236	27%	0.272	C	S	.	.	S	Bend	trans	-125.1	81.8	173.7	-62.4	-72.7	0	0	0	111.2	H524 D528 L529 E578 E582	H524-H526 VanDerWaalsContact C-N 3.35Å; H526-D528 VanDerWaalsContact C-N 3.28Å; H526-D528 PolarHBondContact O-N 3.29Å; H526-L529 HydrophobicContact CB-CD1 3.96Å; H526-L529 HydrophobicContact CB-CG 4.05Å; H526-L529 VanDerWaalsContact O-CB 3.31Å; H526-L529 WeakPolarHBondContact O-CB 3.47Å; H526-L529 PolarHBondContact O-N 2.97Å; H526-L529 VanDerWaalsContact O-N 3.09Å; H526-E578 HydrophobicContact CB-CB 4.02Å; H526-E578 HydrophobicContact CB-CG 4.2Å; H526-E578 IonicContact CG-OE2 3.97Å; H526-E582 PolarHBondContact N-OE2 3.41Å
527	P	98.3	Very high	96.6	Very high	9 Å²	9	55.8 Å²	55.8	6%	0.058	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-69.4	-22.5	-169.9	-9.8	21.2	0	0	0	115.1	F337 Y520 D521 H524 L529 W530	F337-P527 HydrophobicContact CE2-CG 4.12Å; F337-P527 HydrophobicContact CZ-CG 3.94Å; Y520-P527 HydrophobicContact CE2-CB 3.79Å; D521-P527 WeakPolarHBondContact O-CB 3.4Å; H524-P527 HydrophobicContact CB-CB 4.07Å; H524-P527 HydrophobicContact CB-CG 4.1Å; H524-P527 WeakPolarHBondContact O-CG 3.18Å; P527-L529 PolarHBondContact O-N 3.44Å; P527-W530 PolarHBondContact O-N 3.29Å
528	D	98.6	Very high	96.7	Very high	15 Å²	15	55 Å²	55	8%	0.08	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-58.8	-25.9	172.5	-80	-15.2	0	0	0	112.4	P308 F309 Y520 H526 W530 Q531 W539 Q542 Y543	P308-D528 VanDerWaalsContact CA-OD1 3.28Å; P308-D528 WeakPolarHBondContact CA-OD1 3.22Å; F309-D528 VanDerWaalsContact CA-OD2 3.27Å; F309-D528 WeakPolarHBondContact CA-OD2 3.28Å; F309-D528 HydrophobicContact CD1-CB 3.97Å; F309-D528 VanDerWaalsContact CD1-CG 3.49Å; F309-D528 WeakPolarHBondContact CD1-OD2 3.35Å; F309-D528 HydrophobicContact CE1-CB 3.77Å; F309-D528 VanDerWaalsContact N-CG 3.33Å; F309-D528 PolarHBondContact N-OD1 3.27Å; F309-D528 PolarHBondContact N-OD2 2.92Å; Y520-D528 PolarHBondContact OH-OD1 3.14Å; H526-D528 VanDerWaalsContact C-N 3.28Å; H526-D528 PolarHBondContact O-N 3.29Å; D528-W530 PolarHBondContact O-N 3.4Å; D528-W530 VanDerWaalsContact O-N 3.17Å; D528-Q531 VanDerWaalsContact O-CB 3.31Å; D528-Q531 WeakPolarHBondContact O-CB 3.41Å; D528-Q531 PolarHBondContact O-N 3.33Å; D528-W539 VanDerWaalsContact O-CD1 3.28Å; D528-Q542 PolarHBondContact OD2-NE2 2.63Å; D528-Y543 HydrophobicContact CB-CE2 4.14Å; D528-Y543 WeakPolarHBondContact CB-OH 3.29Å; D528-Y543 WeakPolarHBondContact O-CE2 3.36Å
529	L	98.6	Very high	97.2	Very high	1 Å²	1	50.3 Å²	50.3	1%	0.005	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-56.2	-32.8	173.7	-75	179	0	0	0	112.3	H526 P527 Q531 W539 Y543 M575 E578 E582 Y618	H526-L529 HydrophobicContact CB-CD1 3.96Å; H526-L529 HydrophobicContact CB-CG 4.05Å; H526-L529 VanDerWaalsContact O-CB 3.31Å; H526-L529 WeakPolarHBondContact O-CB 3.47Å; H526-L529 PolarHBondContact O-N 2.97Å; H526-L529 VanDerWaalsContact O-N 3.09Å; P527-L529 PolarHBondContact O-N 3.44Å; L529-Q531 VanDerWaalsContact C-N 3.32Å; L529-Q531 PolarHBondContact O-N 3.45Å; L529-W539 PolarHBondContact O-NE1 3.14Å; L529-Y543 HydrophobicContact CD2-CD1 4.16Å; L529-Y543 HydrophobicContact CD2-CE1 3.72Å; L529-Y543 HydrophobicContact CD2-CE2 4.43Å; L529-Y543 PolarHBondContact N-OH 3.35Å; L529-M575 HydrophobicContact CD2-CE 4.08Å; L529-M575 HydrophobicContact CD2-SD 3.36Å; L529-M575 WeakPolarHBondContact CD2-SD 3.36Å; L529-E578 HydrophobicContact CD1-CB 4Å; L529-E578 HydrophobicContact CD2-CB 4.11Å; L529-E578 HydrophobicContact CG-CB 4.16Å; L529-E582 HydrophobicContact CD1-CB 4.49Å; L529-Y618 HydrophobicContact CB-CE2 3.98Å; L529-Y618 VanDerWaalsContact O-CE2 3.28Å; L529-Y618 WeakPolarHBondContact O-CE2 3.44Å; L529-Y618 PolarHBondContact O-OH 3.09Å
530	W	98.6	Very high	97.5	Very high	26 Å²	26	43.4 Å²	43.4	10%	0.098	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-82.7	-4.4	-178.7	-81.9	-105.8	0	0	0	114	H524 P527 D528 I532 E582 G617 Y618 Q621	H524-W530 HydrophobicContact CB-CE3 4.02Å; H524-W530 HydrophobicContact CB-CH2 4.25Å; H524-W530 HydrophobicContact CB-CZ3 3.72Å; H524-W530 AromaticContact CD2-CD2 3.63Å; H524-W530 AromaticContact CD2-CE2 3.99Å; H524-W530 AromaticContact CD2-CE3 3.66Å; H524-W530 AromaticContact CE1-CD2 3.9Å; H524-W530 AromaticContact CE1-CE2 3.43Å; H524-W530 VanDerWaalsContact CE1-CE2 3.43Å; H524-W530 AromaticContact CE1-CH2 3.87Å; H524-W530 AromaticContact CE1-CZ2 3.45Å; H524-W530 VanDerWaalsContact CE1-CZ2 3.45Å; H524-W530 WeakPolarHBondContact CE1-CZ2 3.39Å; H524-W530 AromaticContact CE1-NE1 3.82Å; H524-W530 AromaticContact CG-CD2 3.97Å; H524-W530 AromaticContact CG-CE3 3.64Å; H524-W530 AromaticContact CG-CH2 3.8Å; H524-W530 AromaticContact CG-CZ3 3.56Å; H524-W530 AromaticContact ND1-CE2 3.83Å; H524-W530 AromaticContact ND1-CH2 3.42Å; H524-W530 WeakPolarHBondContact ND1-CH2 3.19Å; H524-W530 AromaticContact ND1-CZ2 3.51Å; H524-W530 AromaticContact ND1-CZ3 3.72Å; H524-W530 AromaticContact NE2-CD1 3.85Å; H524-W530 AromaticContact NE2-CD2 3.56Å; H524-W530 AromaticContact NE2-CE2 3.51Å; H524-W530 AromaticContact NE2-CG 3.83Å; H524-W530 AromaticContact NE2-CZ2 3.99Å; H524-W530 AromaticContact NE2-NE1 3.71Å; P527-W530 PolarHBondContact O-N 3.29Å; D528-W530 PolarHBondContact O-N 3.4Å; D528-W530 VanDerWaalsContact O-N 3.17Å; W530-I532 VanDerWaalsContact C-N 3.26Å; W530-I532 PolarHBondContact O-N 3.12Å; W530-E582 HydrophobicContact CH2-CG 3.7Å; W530-E582 HydrophobicContact CZ3-CG 4.15Å; W530-G617 PolarHBondContact NE1-O 3.43Å; W530-G617 VanDerWaalsContact NE1-O 3.07Å; W530-Y618 AromaticContact CD2-CD2 3.78Å; W530-Y618 HydrophobicContact CD2-CD2 3.78Å; W530-Y618 AromaticContact CD2-CE2 3.96Å; W530-Y618 HydrophobicContact CD2-CE2 3.96Å; W530-Y618 AromaticContact CE2-CD2 3.46Å; W530-Y618 VanDerWaalsContact CE2-CD2 3.46Å; W530-Y618 HydrophobicContact CE3-CD2 4.3Å; W530-Y618 HydrophobicContact CE3-CE2 4.26Å; W530-Y618 HydrophobicContact CG-CD2 4.21Å; W530-Y618 HydrophobicContact CG-CE2 4.25Å; W530-Y618 HydrophobicContact CH2-CD2 4.26Å; W530-Y618 AromaticContact CZ2-CD2 3.72Å; W530-Y618 HydrophobicContact CZ2-CD2 3.72Å; W530-Y618 HydrophobicContact CZ2-CG 4.34Å; W530-Y618 AromaticContact NE1-CD2 3.7Å; W530-Q621 HydrophobicContact CB-CG 4.5Å; W530-Q621 VanDerWaalsContact CD1-CD 3.5Å; W530-Q621 HydrophobicContact CG-CG 4.26Å
531	Q	98.4	Very high	97.6	Very high	6 Å²	6	45.7 Å²	45.7	3%	0.028	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-81.6	8.7	-172.1	-68.8	-66.5	-57.9	0	0	115.5	P308 F309 Y520 D528 L529 F533 D534 N535	P308-Q531 HydrophobicContact CB-CG 4.05Å; P308-Q531 HydrophobicContact CG-CG 4.21Å; F309-Q531 HydrophobicContact CE1-CB 4.5Å; F309-Q531 HydrophobicContact CE2-CB 4Å; F309-Q531 HydrophobicContact CE2-CG 4.46Å; F309-Q531 HydrophobicContact CZ-CB 3.58Å; F309-Q531 HydrophobicContact CZ-CG 4.27Å; Y520-Q531 HydrophobicContact CD2-CG 4.2Å; Y520-Q531 HydrophobicContact CE2-CG 4.02Å; D528-Q531 VanDerWaalsContact O-CB 3.31Å; D528-Q531 WeakPolarHBondContact O-CB 3.41Å; D528-Q531 PolarHBondContact O-N 3.33Å; L529-Q531 VanDerWaalsContact C-N 3.32Å; L529-Q531 PolarHBondContact O-N 3.45Å; Q531-F533 PolarHBondContact O-N 3.17Å; Q531-F533 VanDerWaalsContact O-N 3.09Å; Q531-D534 PolarHBondContact O-N 2.87Å; Q531-N535 CarbonylContact O-C 3.28Å; Q531-N535 PolarHBondContact O-N 3.01Å; Q531-N535 PolarHBondContact OE1-ND2 3.44Å
532	I	98.4	Very high	97.7	Very high	7 Å²	7	42.6 Å²	42.6	4%	0.036	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-58.6	-25.7	-178.7	-165.6	170.1	0	0	0	113.5	W530 P536 W539 Q621 Q624 L625	W530-I532 VanDerWaalsContact C-N 3.26Å; W530-I532 PolarHBondContact O-N 3.12Å; I532-P536 WeakPolarHBondContact O-CB 3.44Å; I532-W539 HydrophobicContact CB-CD2 3.71Å; I532-W539 HydrophobicContact CB-CE3 4.24Å; I532-W539 HydrophobicContact CB-CG 3.92Å; I532-W539 HydrophobicContact CB-CZ2 4.33Å; I532-W539 HydrophobicContact CD1-CD2 4.17Å; I532-W539 HydrophobicContact CD1-CE3 3.88Å; I532-W539 HydrophobicContact CD1-CH2 3.77Å; I532-W539 HydrophobicContact CD1-CZ2 4.01Å; I532-W539 HydrophobicContact CD1-CZ3 3.68Å; I532-W539 HydrophobicContact CG1-CD2 3.74Å; I532-W539 HydrophobicContact CG1-CE3 3.72Å; I532-W539 HydrophobicContact CG1-CG 4.3Å; I532-W539 HydrophobicContact CG1-CH2 4.42Å; I532-W539 HydrophobicContact CG1-CZ2 4.4Å; I532-W539 HydrophobicContact CG1-CZ3 4.07Å; I532-Q621 HydrophobicContact CG2-CB 3.93Å; I532-Q621 HydrophobicContact CG2-CG 4Å; I532-Q624 HydrophobicContact CD1-CB 4.1Å; I532-Q624 HydrophobicContact CD1-CG 4.08Å; I532-Q624 HydrophobicContact CG1-CG 4.19Å; I532-Q624 HydrophobicContact CG2-CB 4.36Å; I532-Q624 HydrophobicContact CG2-CG 4.48Å; I532-L625 HydrophobicContact CD1-CB 3.95Å
533	F	97.3	Very high	97.9	Very high	91 Å²	91	40.1 Å²	40.1	40%	0.399	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90	-46	-179.2	-63.7	-68.1	0	0	0	113.3	Q531 D620 Q621 Q624	Q531-F533 PolarHBondContact O-N 3.17Å; Q531-F533 VanDerWaalsContact O-N 3.09Å; F533-D620 HydrophobicContact CE2-CB 4.43Å; F533-D620 HydrophobicContact CZ-CB 4.3Å; F533-D620 WeakPolarHBondContact CZ-O 3.37Å; F533-Q621 HydrophobicContact CD2-CG 4.4Å; F533-Q621 HydrophobicContact CE2-CB 4.44Å; F533-Q621 HydrophobicContact CE2-CG 3.88Å; F533-Q624 HydrophobicContact CD1-CB 4.44Å; F533-Q624 HydrophobicContact CD1-CG 4.03Å; F533-Q624 HydrophobicContact CE1-CB 3.54Å; F533-Q624 HydrophobicContact CE1-CG 3.53Å; F533-Q624 HydrophobicContact CZ-CB 3.69Å; F533-Q624 HydrophobicContact CZ-CG 4.19Å
534	D	97.3	Very high	98.1	Very high	74 Å²	74	32 Å²	32	40%	0.396	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-37.4	-172.9	-72.2	-38.2	0	0	0	111.8	A516 Q531	A516-D534 HydrophobicContact CB-CB 4.15Å; Q531-D534 PolarHBondContact O-N 2.87Å
535	N	98.3	Very high	98.2	Very high	7 Å²	7	31.5 Å²	31.5	4%	0.037	16%	0.157	C	C	.	.	S	Bend	trans	-133.4	59	-174.3	-64.7	-64.5	0	0	0	111.4	F309 L515 A516 Q531 V537 D538 W539	F309-N535 HydrophobicContact CE2-CB 3.68Å; F309-N535 HydrophobicContact CZ-CB 4.47Å; L515-N535 WeakPolarHBondContact CA-OD1 3.43Å; L515-N535 HydrophobicContact CD2-CB 4.37Å; A516-N535 PolarHBondContact N-OD1 3.33Å; A516-N535 PolarHBondContact O-ND2 3.43Å; Q531-N535 CarbonylContact O-C 3.28Å; Q531-N535 PolarHBondContact O-N 3.01Å; Q531-N535 PolarHBondContact OE1-ND2 3.44Å; N535-V537 VanDerWaalsContact C-N 3.27Å; N535-V537 PolarHBondContact O-N 2.92Å; N535-D538 HydrophobicContact CB-CB 4.42Å; N535-D538 PolarHBondContact O-N 2.72Å; N535-W539 VanDerWaalsContact O-CB 3.29Å; N535-W539 WeakPolarHBondContact O-CB 3.26Å; N535-W539 PolarHBondContact O-N 3.48Å
536	P	98.2	Very high	98.2	Very high	48 Å²	48	35.5 Å²	35.5	31%	0.312	17%	0.173	S	C	.	.	H	α-helix	trans	-62.5	-29.2	-170.1	23.1	-34.4	0	0	0	114.4	I532 K540	I532-P536 WeakPolarHBondContact O-CB 3.44Å; P536-K540 VanDerWaalsContact O-CB 3.26Å; P536-K540 WeakPolarHBondContact O-CB 3.35Å; P536-K540 PolarHBondContact O-N 3Å
537	V	98.3	Very high	98.2	Very high	37 Å²	37	35.1 Å²	35.1	22%	0.224	17%	0.173	C	C	.	.	H	α-helix	trans	-71.5	-50.5	179.9	179.5	0	0	0	0	110.3	H420 N535 K540 E541	H420-V537 HydrophobicContact CB-CG2 4.43Å; N535-V537 VanDerWaalsContact C-N 3.27Å; N535-V537 PolarHBondContact O-N 2.92Å; V537-K540 WeakPolarHBondContact O-CB 3.42Å; V537-K540 PolarHBondContact O-N 2.85Å; V537-E541 WeakPolarHBondContact O-CG 3.17Å; V537-E541 PolarHBondContact O-N 3.29Å
538	D	98.4	Very high	98.2	Very high	5 Å²	5	34.9 Å²	34.9	3%	0.027	17%	0.171	C	C	.	.	H	α-helix	trans	-65	-41.7	177.8	-59.6	-86.9	0	0	0	111.1	F309 R513 L515 N535 K540 E541 Q542	F309-D538 HydrophobicContact CD2-CB 3.67Å; F309-D538 HydrophobicContact CE2-CB 3.57Å; F309-D538 HydrophobicContact CG-CB 4.35Å; F309-D538 HydrophobicContact CZ-CB 4.15Å; R513-D538 IonicContact CZ-OD1 2.69Å; R513-D538 VanDerWaalsContact CZ-OD1 3.27Å; R513-D538 IonicContact CZ-OD2 3.77Å; R513-D538 VanDerWaalsContact NE-CG 3.34Å; R513-D538 IonicContact NE-OD1 3.83Å; R513-D538 PolarHBondContact NE-OD1 3.17Å; R513-D538 VanDerWaalsContact NE-OD1 3.08Å; R513-D538 IonicContact NE-OD2 2.91Å; R513-D538 PolarHBondContact NE-OD2 3.39Å; R513-D538 VanDerWaalsContact NH2-CG 3.33Å; R513-D538 IonicContact NH2-OD1 3.97Å; R513-D538 PolarHBondContact NH2-OD1 3.24Å; R513-D538 IonicContact NH2-OD2 3.69Å; L515-D538 HydrophobicContact CD2-CB 4.15Å; L515-D538 VanDerWaalsContact CD2-CG 3.49Å; N535-D538 HydrophobicContact CB-CB 4.42Å; N535-D538 PolarHBondContact O-N 2.72Å; D538-K540 VanDerWaalsContact C-N 3.35Å; D538-K540 PolarHBondContact O-N 3.29Å; D538-E541 PolarHBondContact O-N 3.03Å; D538-Q542 PolarHBondContact O-N 3.18Å
539	W	98.7	Very high	98.1	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-58.9	-44.4	173.2	-169.3	94.2	0	0	0	111.7	F309 D528 L529 I532 N535 E541 Q542 Y543 I544 M575 L625 Y629	F309-W539 HydrophobicContact CZ-CB 4.06Å; D528-W539 VanDerWaalsContact O-CD1 3.28Å; L529-W539 PolarHBondContact O-NE1 3.14Å; I532-W539 HydrophobicContact CB-CD2 3.71Å; I532-W539 HydrophobicContact CB-CE3 4.24Å; I532-W539 HydrophobicContact CB-CG 3.92Å; I532-W539 HydrophobicContact CB-CZ2 4.33Å; I532-W539 HydrophobicContact CD1-CD2 4.17Å; I532-W539 HydrophobicContact CD1-CE3 3.88Å; I532-W539 HydrophobicContact CD1-CH2 3.77Å; I532-W539 HydrophobicContact CD1-CZ2 4.01Å; I532-W539 HydrophobicContact CD1-CZ3 3.68Å; I532-W539 HydrophobicContact CG1-CD2 3.74Å; I532-W539 HydrophobicContact CG1-CE3 3.72Å; I532-W539 HydrophobicContact CG1-CG 4.3Å; I532-W539 HydrophobicContact CG1-CH2 4.42Å; I532-W539 HydrophobicContact CG1-CZ2 4.4Å; I532-W539 HydrophobicContact CG1-CZ3 4.07Å; N535-W539 VanDerWaalsContact O-CB 3.29Å; N535-W539 WeakPolarHBondContact O-CB 3.26Å; N535-W539 PolarHBondContact O-N 3.48Å; W539-E541 PolarHBondContact O-N 3.49Å; W539-Q542 PolarHBondContact O-N 3.16Å; W539-Y543 AromaticContact CD1-CD2 3.42Å; W539-Y543 VanDerWaalsContact CD1-CD2 3.42Å; W539-Y543 AromaticContact CD1-CE2 3.7Å; W539-Y543 AromaticContact CD2-CD2 3.81Å; W539-Y543 HydrophobicContact CD2-CD2 3.81Å; W539-Y543 HydrophobicContact CD2-CG 4.47Å; W539-Y543 AromaticContact CE2-CD2 3.53Å; W539-Y543 AromaticContact CG-CD2 3.74Å; W539-Y543 HydrophobicContact CG-CD2 3.74Å; W539-Y543 HydrophobicContact CG-CE2 4.38Å; W539-Y543 HydrophobicContact CZ2-CD2 4.15Å; W539-Y543 HydrophobicContact CZ2-CG 4.29Å; W539-Y543 AromaticContact NE1-CD2 3.32Å; W539-Y543 VanDerWaalsContact NE1-CD2 3.32Å; W539-Y543 AromaticContact NE1-CE2 3.71Å; W539-Y543 WeakPolarHBondContact O-CB 3.39Å; W539-Y543 WeakPolarHBondContact O-CD2 3.48Å; W539-Y543 PolarHBondContact O-N 3.29Å; W539-I544 HydrophobicContact CE3-CG1 4.43Å; W539-I544 HydrophobicContact CH2-CD1 4.29Å; W539-I544 HydrophobicContact CZ3-CD1 3.79Å; W539-I544 HydrophobicContact CZ3-CG1 3.79Å; W539-M575 HydrophobicContact CZ2-SD 4.19Å; W539-L625 HydrophobicContact CH2-CB 4.5Å; W539-L625 HydrophobicContact CH2-CD1 3.68Å; W539-L625 HydrophobicContact CH2-CG 4.31Å; W539-L625 HydrophobicContact CZ3-CD1 4.5Å; W539-Y629 HydrophobicContact CE3-CE2 4.49Å; W539-Y629 AromaticContact CZ3-CE2 3.92Å; W539-Y629 HydrophobicContact CZ3-CE2 3.92Å
540	K	98.6	Very high	98.1	Very high	76 Å²	76	41.2 Å²	41.2	33%	0.33	20%	0.199	S	C	.	.	H	α-helix	trans	-59.7	-47.8	174.9	-175.2	-166.9	175.3	-150.3	0	111.1	P536 V537 D538 Q542 I544 S549 Y629	P536-K540 VanDerWaalsContact O-CB 3.26Å; P536-K540 WeakPolarHBondContact O-CB 3.35Å; P536-K540 PolarHBondContact O-N 3Å; V537-K540 WeakPolarHBondContact O-CB 3.42Å; V537-K540 PolarHBondContact O-N 2.85Å; D538-K540 VanDerWaalsContact C-N 3.35Å; D538-K540 PolarHBondContact O-N 3.29Å; K540-Q542 PolarHBondContact O-N 2.74Å; K540-I544 HydrophobicContact CB-CG1 4.47Å; K540-I544 HydrophobicContact CG-CB 3.88Å; K540-I544 HydrophobicContact CG-CG1 3.97Å; K540-I544 HydrophobicContact CG-CG2 4.36Å; K540-I544 WeakPolarHBondContact O-CB 3.09Å; K540-I544 PolarHBondContact O-N 2.94Å; K540-S549 PolarHBondContact NZ-OG 2.58Å; K540-Y629 WeakPolarHBondContact CB-OH 3.36Å; K540-Y629 HydrophobicContact CD-CE1 4.28Å; K540-Y629 HydrophobicContact CG-CE1 4.16Å; K540-Y629 WeakPolarHBondContact CG-OH 3.37Å
541	E	97.4	Very high	98	Very high	74 Å²	74	40.1 Å²	40.1	35%	0.346	20%	0.195	S	C	.	.	H	α-helix	trans	-63.5	-25.7	-178.9	-74.7	-178.8	-154.8	0	0	113.4	R312 R513 V537 D538 W539	R312-E541 IonicContact CZ-OE2 3.99Å; R312-E541 IonicContact NE-OE2 3.17Å; R312-E541 PolarHBondContact NE-OE2 3.28Å; R312-E541 PolarHBondContact NH1-O 3.19Å; R312-E541 IonicContact NH2-OE2 3.21Å; R312-E541 PolarHBondContact NH2-OE2 2.95Å; R513-E541 IonicContact CZ-OE1 4Å; R513-E541 IonicContact NH1-OE1 2.88Å; R513-E541 PolarHBondContact NH1-OE1 2.99Å; R513-E541 VanDerWaalsContact NH2-CD 3.32Å; R513-E541 IonicContact NH2-OE1 3.44Å; R513-E541 PolarHBondContact NH2-OE1 3.43Å; R513-E541 IonicContact NH2-OE2 3.95Å; R513-E541 PolarHBondContact NH2-OE2 3.3Å; V537-E541 WeakPolarHBondContact O-CG 3.17Å; V537-E541 PolarHBondContact O-N 3.29Å; D538-E541 PolarHBondContact O-N 3.03Å; W539-E541 PolarHBondContact O-N 3.49Å
542	Q	98.3	Very high	97.9	Very high	10 Å²	10	42.3 Å²	42.3	5%	0.047	21%	0.207	C	C	.	.	H	α-helix	trans	-89.6	-43.3	177.9	-173.3	153.1	-54.4	0	0	112.5	F309 D528 D538 W539 K540 S572	F309-Q542 VanDerWaalsContact CD1-OE1 3.27Å; F309-Q542 HydrophobicContact CE1-CB 4.43Å; D528-Q542 PolarHBondContact OD2-NE2 2.63Å; D538-Q542 PolarHBondContact O-N 3.18Å; W539-Q542 PolarHBondContact O-N 3.16Å; K540-Q542 PolarHBondContact O-N 2.74Å; Q542-S572 WeakPolarHBondContact O-CB 3.45Å; Q542-S572 PolarHBondContact O-OG 2.77Å
543	Y	98.8	Very high	97.8	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-112.9	-19.2	-163.6	-63.6	-57.1	0	0	0	115.8	F309 D528 L529 W539 L571 S572 Q574 M575 E578	F309-Y543 HydrophobicContact CE1-CE2 4.08Å; D528-Y543 HydrophobicContact CB-CE2 4.14Å; D528-Y543 WeakPolarHBondContact CB-OH 3.29Å; D528-Y543 WeakPolarHBondContact O-CE2 3.36Å; L529-Y543 HydrophobicContact CD2-CD1 4.16Å; L529-Y543 HydrophobicContact CD2-CE1 3.72Å; L529-Y543 HydrophobicContact CD2-CE2 4.43Å; L529-Y543 PolarHBondContact N-OH 3.35Å; W539-Y543 AromaticContact CD1-CD2 3.42Å; W539-Y543 VanDerWaalsContact CD1-CD2 3.42Å; W539-Y543 AromaticContact CD1-CE2 3.7Å; W539-Y543 AromaticContact CD2-CD2 3.81Å; W539-Y543 HydrophobicContact CD2-CD2 3.81Å; W539-Y543 HydrophobicContact CD2-CG 4.47Å; W539-Y543 AromaticContact CE2-CD2 3.53Å; W539-Y543 AromaticContact CG-CD2 3.74Å; W539-Y543 HydrophobicContact CG-CD2 3.74Å; W539-Y543 HydrophobicContact CG-CE2 4.38Å; W539-Y543 HydrophobicContact CZ2-CD2 4.15Å; W539-Y543 HydrophobicContact CZ2-CG 4.29Å; W539-Y543 AromaticContact NE1-CD2 3.32Å; W539-Y543 VanDerWaalsContact NE1-CD2 3.32Å; W539-Y543 AromaticContact NE1-CE2 3.71Å; W539-Y543 WeakPolarHBondContact O-CB 3.39Å; W539-Y543 WeakPolarHBondContact O-CD2 3.48Å; W539-Y543 PolarHBondContact O-N 3.29Å; Y543-L571 WeakPolarHBondContact O-CA 3.34Å; Y543-S572 WeakPolarHBondContact CA-OG 3.33Å; Y543-S572 PolarHBondContact O-N 3.39Å; Y543-S572 PolarHBondContact O-OG 2.96Å; Y543-Q574 HydrophobicContact CE1-CG 4.29Å; Y543-M575 HydrophobicContact CD1-CB 3.68Å; Y543-M575 HydrophobicContact CD1-CG 4.33Å; Y543-M575 HydrophobicContact CD1-SD 3.85Å; Y543-M575 HydrophobicContact CG-CB 4.25Å; Y543-M575 HydrophobicContact CG-SD 3.97Å; Y543-M575 WeakPolarHBondContact O-CB 3.15Å; Y543-E578 WeakPolarHBondContact CE1-OE2 3.37Å; Y543-E578 VanDerWaalsContact CZ-OE2 3.26Å; Y543-E578 PolarHBondContact OH-OE2 3.17Å
544	I	98.7	Very high	97.5	Very high	8 Å²	8	47.6 Å²	47.6	4%	0.041	25%	0.249	C	C	.	.	B	Isolated β-bridge	trans	-89.1	138	173.4	-64.1	-59.4	0	0	0	109.2	W539 K540 E546 Y548 Y629	W539-I544 HydrophobicContact CE3-CG1 4.43Å; W539-I544 HydrophobicContact CH2-CD1 4.29Å; W539-I544 HydrophobicContact CZ3-CD1 3.79Å; W539-I544 HydrophobicContact CZ3-CG1 3.79Å; K540-I544 HydrophobicContact CB-CG1 4.47Å; K540-I544 HydrophobicContact CG-CB 3.88Å; K540-I544 HydrophobicContact CG-CG1 3.97Å; K540-I544 HydrophobicContact CG-CG2 4.36Å; K540-I544 WeakPolarHBondContact O-CB 3.09Å; K540-I544 PolarHBondContact O-N 2.94Å; I544-E546 PolarHBondContact O-N 3.49Å; I544-Y548 HydrophobicContact CG2-CD1 3.75Å; I544-Y548 HydrophobicContact CG2-CG 3.74Å; I544-Y629 HydrophobicContact CD1-CD1 4.4Å; I544-Y629 HydrophobicContact CD1-CD2 3.61Å; I544-Y629 HydrophobicContact CD1-CE1 4.49Å; I544-Y629 HydrophobicContact CD1-CE2 3.71Å; I544-Y629 HydrophobicContact CD1-CG 3.96Å; I544-Y629 HydrophobicContact CG1-CD1 4.37Å; I544-Y629 HydrophobicContact CG1-CD2 4.1Å; I544-Y629 HydrophobicContact CG1-CE1 4.03Å; I544-Y629 HydrophobicContact CG1-CE2 3.73Å; I544-Y629 HydrophobicContact CG1-CG 4.39Å
545	H	98.6	Very high	97.3	Very high	35 Å²	35	49 Å²	49	16%	0.162	25%	0.253	C	S	.	.			trans	-56.2	132	179.5	-167.6	-63.5	0	0	0	110.2	N547 Y548 P569 L570 L571 W706	H545-N547 PolarHBondContact ND1-N 3.48Å; H545-N547 VanDerWaalsContact ND1-N 3.17Å; H545-N547 PolarHBondContact O-N 2.76Å; H545-N547 VanDerWaalsContact O-N 3.12Å; H545-Y548 WeakPolarHBondContact O-CB 3.43Å; H545-Y548 PolarHBondContact O-N 2.8Å; H545-P569 HydrophobicContact CB-CB 4.02Å; H545-P569 VanDerWaalsContact CG-CB 3.47Å; H545-L570 PolarHBondContact N-O 2.92Å; H545-L571 WeakPolarHBondContact CB-O 3.31Å; H545-L571 PolarHBondContact CD2-O 3.12Å; H545-W706 AromaticContact NE2-NE1 3.86Å
546	E	97.1	Very high	97	Very high	165 Å²	165	52 Å²	52	77%	0.771	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.9	-40.6	-176.2	51.2	170	-151.7	0	0	113.5	I544	I544-E546 PolarHBondContact O-N 3.49Å
547	N	97.6	Very high	96.9	Very high	43 Å²	43	51.2 Å²	51.2	23%	0.23	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83	0.2	178	-67.2	-48.8	0	0	0	115.5	H545 S549 R550 A551 I557 P569	H545-N547 PolarHBondContact ND1-N 3.48Å; H545-N547 VanDerWaalsContact ND1-N 3.17Å; H545-N547 PolarHBondContact O-N 2.76Å; H545-N547 VanDerWaalsContact O-N 3.12Å; N547-S549 PolarHBondContact O-N 2.89Å; N547-R550 PolarHBondContact O-N 3.31Å; N547-R550 PolarHBondContact OD1-NH1 2.95Å; N547-A551 WeakPolarHBondContact O-CB 3.45Å; N547-A551 PolarHBondContact O-N 3.07Å; N547-I557 HydrophobicContact CB-CD1 4.37Å; N547-P569 HydrophobicContact CB-CG 4.33Å
548	Y	98.5	Very high	96.9	Very high	4 Å²	4	51.2 Å²	51.2	2%	0.016	28%	0.279	C	S	.	.	H	α-helix	trans	-58.7	-46.7	179.9	166	-91.6	0	0	0	112	I544 H545 R550 A551 L552 P569 L570 Y629 M633	I544-Y548 HydrophobicContact CG2-CD1 3.75Å; I544-Y548 HydrophobicContact CG2-CG 3.74Å; H545-Y548 WeakPolarHBondContact O-CB 3.43Å; H545-Y548 PolarHBondContact O-N 2.8Å; Y548-R550 PolarHBondContact O-N 3.15Å; Y548-A551 WeakPolarHBondContact O-CB 3.4Å; Y548-A551 PolarHBondContact O-N 2.82Å; Y548-A551 VanDerWaalsContact O-N 3.14Å; Y548-L552 HydrophobicContact CE1-CD2 4.31Å; Y548-L552 PolarHBondContact O-N 3.36Å; Y548-P569 WeakPolarHBondContact CD2-O 3.39Å; Y548-L570 HydrophobicContact CD2-CD1 4.12Å; Y548-L570 HydrophobicContact CE2-CD1 4.14Å; Y548-Y629 HydrophobicContact CD1-CD1 4.24Å; Y548-Y629 AromaticContact CE1-CD1 3.61Å; Y548-Y629 HydrophobicContact CE1-CD1 3.61Å; Y548-Y629 HydrophobicContact CE1-CE1 4.45Å; Y548-Y629 HydrophobicContact CE1-CG 4.42Å; Y548-Y629 AromaticContact CZ-CD1 3.94Å; Y548-Y629 VanDerWaalsContact OH-C 3.27Å; Y548-Y629 WeakPolarHBondContact OH-CA 3.39Å; Y548-Y629 PolarHBondContact OH-O 3.21Å; Y548-M633 HydrophobicContact CD2-CE 4.26Å; Y548-M633 HydrophobicContact CE2-CE 3.87Å
549	S	96.9	Very high	96.9	Very high	36 Å²	36	54.8 Å²	54.8	25%	0.252	30%	0.296	S	S	.	.	H	α-helix	trans	-63.7	-41.4	-177.7	-70.2	0	0	0	0	112	K540 N547 A551 L552 E553	K540-S549 PolarHBondContact NZ-OG 2.58Å; N547-S549 PolarHBondContact O-N 2.89Å; S549-A551 VanDerWaalsContact C-N 3.31Å; S549-A551 PolarHBondContact O-N 3.21Å; S549-L552 PolarHBondContact O-N 3.02Å; S549-E553 WeakPolarHBondContact O-CG 3.49Å; S549-E553 PolarHBondContact O-N 3.37Å; S549-E553 VanDerWaalsContact O-N 3.09Å
550	R	97.1	Very high	96.8	Very high	114 Å²	114	59.3 Å²	59.3	43%	0.43	32%	0.317	S	S	.	.	H	α-helix	trans	-64.5	-35.4	174.1	-66	173.4	60.6	-151.8	-1.8	112.4	N547 Y548 E553 G554 E555 I557	N547-R550 PolarHBondContact O-N 3.31Å; N547-R550 PolarHBondContact OD1-NH1 2.95Å; Y548-R550 PolarHBondContact O-N 3.15Å; R550-E553 PolarHBondContact O-N 3.23Å; R550-G554 PolarHBondContact O-N 2.75Å; R550-E555 IonicContact CZ-OE2 3.55Å; R550-E555 VanDerWaalsContact CZ-OE2 3.22Å; R550-E555 IonicContact NE-OE1 3.52Å; R550-E555 IonicContact NE-OE2 3.19Å; R550-E555 PolarHBondContact NE-OE2 2.82Å; R550-E555 IonicContact NH2-OE2 3.02Å; R550-E555 PolarHBondContact NH2-OE2 3.42Å; R550-E555 PolarHBondContact O-N 3.49Å; R550-I557 HydrophobicContact CB-CD1 3.6Å
551	A	97.3	Very high	96.8	Very high	2 Å²	2	58 Å²	58	2%	0.017	32%	0.316	C	S	.	.	H	α-helix	trans	-66.7	-41.5	176.1	0	0	0	0	0	111.6	N547 Y548 S549 E553 G554 I557 V558 P569 M633	N547-A551 WeakPolarHBondContact O-CB 3.45Å; N547-A551 PolarHBondContact O-N 3.07Å; Y548-A551 WeakPolarHBondContact O-CB 3.4Å; Y548-A551 PolarHBondContact O-N 2.82Å; Y548-A551 VanDerWaalsContact O-N 3.14Å; S549-A551 VanDerWaalsContact C-N 3.31Å; S549-A551 PolarHBondContact O-N 3.21Å; A551-E553 VanDerWaalsContact C-N 3.32Å; A551-E553 PolarHBondContact O-N 3.39Å; A551-G554 PolarHBondContact O-N 2.91Å; A551-I557 HydrophobicContact CB-CB 3.88Å; A551-I557 HydrophobicContact CB-CD1 4.42Å; A551-I557 HydrophobicContact CB-CG2 3.84Å; A551-V558 HydrophobicContact CB-CG2 4.14Å; A551-P569 HydrophobicContact CB-CG 4.01Å; A551-M633 HydrophobicContact CB-CE 4.29Å
552	L	97.2	Very high	96.8	Very high	53 Å²	53	54.7 Å²	54.7	28%	0.277	30%	0.301	S	S	.	.	H	α-helix	trans	-65.3	-34.7	176.5	-176.1	65.4	0	0	0	112.4	Y548 S549 G554 P632 M633	Y548-L552 HydrophobicContact CE1-CD2 4.31Å; Y548-L552 PolarHBondContact O-N 3.36Å; S549-L552 PolarHBondContact O-N 3.02Å; L552-G554 PolarHBondContact O-N 2.74Å; L552-P632 HydrophobicContact CD1-CB 4.4Å; L552-P632 HydrophobicContact CD2-CB 4.48Å; L552-M633 HydrophobicContact CB-CE 3.89Å; L552-M633 HydrophobicContact CD1-CB 4.22Å; L552-M633 HydrophobicContact CD1-CE 4.03Å; L552-M633 HydrophobicContact CD1-SD 4.14Å
553	E	95.8	Very high	96.7	Very high	148 Å²	148	57.4 Å²	57.4	69%	0.692	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-8.4	176.9	-71.6	171.8	-161.6	0	0	113.7	S549 R550 A551	S549-E553 WeakPolarHBondContact O-CG 3.49Å; S549-E553 PolarHBondContact O-N 3.37Å; S549-E553 VanDerWaalsContact O-N 3.09Å; R550-E553 PolarHBondContact O-N 3.23Å; A551-E553 VanDerWaalsContact C-N 3.32Å; A551-E553 PolarHBondContact O-N 3.39Å
554	G	90.5	Very high	96.7	Very high	61 Å²	61	60.9 Å²	60.9	63%	0.629	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	89	24.1	171.9	0	0	0	0	0	115.4	R550 A551 L552 G556	R550-G554 PolarHBondContact O-N 2.75Å; A551-G554 PolarHBondContact O-N 2.91Å; L552-G554 PolarHBondContact O-N 2.74Å; G554-G556 PolarHBondContact O-N 3.48Å
555	E	92.3	Very high	96.6	Very high	103 Å²	103	60.5 Å²	60.5	48%	0.481	34%	0.336	S	S	.	.	S	Bend	trans	-68.6	25.2	177.4	-66.4	-169.1	-175.8	0	0	114.8	R550 I557	R550-E555 IonicContact CZ-OE2 3.55Å; R550-E555 VanDerWaalsContact CZ-OE2 3.22Å; R550-E555 IonicContact NE-OE1 3.52Å; R550-E555 IonicContact NE-OE2 3.19Å; R550-E555 PolarHBondContact NE-OE2 2.82Å; R550-E555 IonicContact NH2-OE2 3.02Å; R550-E555 PolarHBondContact NH2-OE2 3.42Å; R550-E555 PolarHBondContact O-N 3.49Å; E555-I557 VanDerWaalsContact C-N 3.25Å; E555-I557 HydrophobicContact CB-CD1 4.39Å; E555-I557 HydrophobicContact CB-CG1 4.39Å; E555-I557 PolarHBondContact O-N 2.94Å
556	G	92.3	Very high	96.6	Very high	71 Å²	71	60.8 Å²	60.8	73%	0.732	34%	0.336	S	S	*	.	S	Bend	trans	68.3	19.5	179.5	0	0	0	0	0	114.7	G554	G554-G556 PolarHBondContact O-N 3.48Å
557	I	96.6	Very high	96.7	Very high	31 Å²	31	54 Å²	54	16%	0.159	30%	0.303	C	S	.	.			trans	-81.7	-33.9	178.3	-60.7	174.3	0	0	0	111.4	N547 R550 A551 E555 E559 P569 W706	N547-I557 HydrophobicContact CB-CD1 4.37Å; R550-I557 HydrophobicContact CB-CD1 3.6Å; A551-I557 HydrophobicContact CB-CB 3.88Å; A551-I557 HydrophobicContact CB-CD1 4.42Å; A551-I557 HydrophobicContact CB-CG2 3.84Å; E555-I557 VanDerWaalsContact C-N 3.25Å; E555-I557 HydrophobicContact CB-CD1 4.39Å; E555-I557 HydrophobicContact CB-CG1 4.39Å; E555-I557 PolarHBondContact O-N 2.94Å; I557-E559 PolarHBondContact O-N 3.17Å; I557-P569 HydrophobicContact CG2-CG 3.82Å; I557-W706 HydrophobicContact CG2-CH2 4.17Å
558	V	97.9	Very high	96.7	Very high	37 Å²	37	52 Å²	52	22%	0.224	29%	0.292	C	S	.	.			trans	-71.2	131.2	178.5	-179.2	0	0	0	0	109.1	A551 Y566 F568 M633 L637	A551-V558 HydrophobicContact CB-CG2 4.14Å; V558-Y566 HydrophobicContact CG1-CD1 4.11Å; V558-F568 HydrophobicContact CB-CB 4.46Å; V558-F568 HydrophobicContact CG1-CB 4.25Å; V558-F568 HydrophobicContact CG2-CB 3.88Å; V558-M633 HydrophobicContact CG2-CE 4.45Å; V558-M633 HydrophobicContact CG2-SD 4.14Å; V558-L637 HydrophobicContact CB-CD2 4.31Å; V558-L637 HydrophobicContact CG1-CD1 4.17Å; V558-L637 HydrophobicContact CG1-CD2 3.69Å; V558-L637 HydrophobicContact CG2-CD2 4.33Å
559	E	98.1	Very high	96.7	Very high	80 Å²	80	51.8 Å²	51.8	37%	0.374	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	159.7	176.9	-67.9	172.6	-144.5	0	0	111.1	I557 Y566 W567 R703	I557-E559 PolarHBondContact O-N 3.17Å; E559-Y566 CarbonylContact O-C 3.49Å; E559-Y566 WeakPolarHBondContact O-CA 3.36Å; E559-W567 HydrophobicContact CB-CB 4.42Å; E559-W567 PolarHBondContact N-O 3.46Å; E559-W567 PolarHBondContact O-N 3.06Å; E559-R703 IonicContact OE1-CZ 3.47Å; E559-R703 VanDerWaalsContact OE1-CZ 3.29Å; E559-R703 IonicContact OE1-NH1 2.72Å; E559-R703 PolarHBondContact OE1-NH1 2.87Å; E559-R703 IonicContact OE1-NH2 3.36Å; E559-R703 PolarHBondContact OE1-NH2 2.9Å; E559-R703 IonicContact OE2-CZ 3.02Å; E559-R703 IonicContact OE2-NH1 3Å; E559-R703 IonicContact OE2-NH2 3.68Å; E559-R703 PolarHBondContact OE2-NH2 3.47Å
560	Q	97.9	Very high	96.8	Very high	95 Å²	95	50 Å²	50	44%	0.444	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	74.7	172.7	-169.5	178.8	19.9	0	0	109.5	C562 V565 Y566	Q560-C562 VanDerWaalsContact C-N 3.26Å; Q560-C562 VanDerWaalsContact CG-O 3.31Å; Q560-C562 WeakPolarHBondContact CG-O 3.41Å; Q560-C562 PolarHBondContact O-N 2.77Å; Q560-V565 CarbonylContact C-O 3.56Å; Q560-V565 WeakPolarHBondContact CA-O 3.47Å; Q560-Y566 HydrophobicContact CB-CD1 4.06Å; Q560-Y566 HydrophobicContact CB-CE1 4.15Å; Q560-Y566 HydrophobicContact CG-CD1 4.14Å; Q560-Y566 HydrophobicContact CG-CE1 4.07Å
561	P	97.3	Very high	96.9	Very high	48 Å²	48	44.6 Å²	44.6	31%	0.312	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	-23.8	-172.3	26.6	-38.8	0	0	0	114.5	V565 W567 C697 I699	P561-V565 VanDerWaalsContact CD-O 3.23Å; P561-V565 WeakPolarHBondContact CD-O 3.45Å; P561-W567 HydrophobicContact CB-CE3 4.39Å; P561-W567 HydrophobicContact CG-CB 4.03Å; P561-W567 HydrophobicContact CG-CE3 3.98Å; P561-C697 PolarHBondContact O-SG 3.36Å; P561-I699 HydrophobicContact CB-CD1 3.46Å; P561-I699 VanDerWaalsContact CB-CD1 3.46Å; P561-I699 HydrophobicContact CG-CD1 3.42Å; P561-I699 VanDerWaalsContact CG-CD1 3.42Å
562	C	97.2	Very high	97	Very high	4 Å²	4	45.5 Å²	45.5	3%	0.027	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	158.9	170.8	-55.1	0	0	0	0	109.6	Q560 D564 V565 F692 C697 I699	Q560-C562 VanDerWaalsContact C-N 3.26Å; Q560-C562 VanDerWaalsContact CG-O 3.31Å; Q560-C562 WeakPolarHBondContact CG-O 3.41Å; Q560-C562 PolarHBondContact O-N 2.77Å; C562-D564 PolarHBondContact O-N 3.5Å; C562-V565 HydrophobicContact CB-CB 3.83Å; C562-V565 HydrophobicContact CB-CG2 3.73Å; C562-V565 PolarHBondContact O-N 2.99Å; C562-F692 HydrophobicContact CB-CD2 4.44Å; C562-C697 WeakPolarHBondContact CA-SG 3.39Å; C562-C697 HydrophobicContact CB-CB 3.68Å; C562-C697 WeakPolarHBondContact CB-SG 3.47Å; C562-C697 WeakPolarHBondContact SG-CB 3.22Å; C562-C697 CovalentContact SG-SG 2.02Å; C562-C697 PolarHBondContact SG-SG 2.99Å; C562-I699 VanDerWaalsContact SG-CD1 3.56Å
563	P	97.8	Very high	97	Very high	68 Å²	68	48.1 Å²	48.1	44%	0.442	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.6	125.9	176	-26.5	35.2	0	0	0	111.6	V565 Y695 H716	P563-V565 PolarHBondContact O-N 2.74Å; P563-V565 VanDerWaalsContact O-N 3.07Å; P563-Y695 HydrophobicContact CB-CD1 4.37Å; P563-Y695 HydrophobicContact CB-CE1 4.36Å; P563-Y695 HydrophobicContact CG-CD1 4.21Å; P563-Y695 HydrophobicContact CG-CG 4.28Å; P563-H716 PolarHBondContact O-NE2 3.48Å; P563-H716 VanDerWaalsContact O-NE2 3.17Å
564	D	97.4	Very high	97.1	Very high	73 Å²	73	45 Å²	45	39%	0.39	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.6	22.7	-176.5	-59.9	-41.9	0	0	0	115.8	C562 F638 P711	C562-D564 PolarHBondContact O-N 3.5Å; D564-F638 HydrophobicContact CB-CE1 4.41Å; D564-P711 VanDerWaalsContact O-CD 3.31Å; D564-P711 WeakPolarHBondContact O-CD 3.49Å
565	V	98.3	Very high	97.5	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	105.9	169.1	-177.6	0	0	0	0	107.7	Q560 P561 C562 P563 F692 L708 H710	Q560-V565 CarbonylContact C-O 3.56Å; Q560-V565 WeakPolarHBondContact CA-O 3.47Å; P561-V565 VanDerWaalsContact CD-O 3.23Å; P561-V565 WeakPolarHBondContact CD-O 3.45Å; C562-V565 HydrophobicContact CB-CB 3.83Å; C562-V565 HydrophobicContact CB-CG2 3.73Å; C562-V565 PolarHBondContact O-N 2.99Å; P563-V565 PolarHBondContact O-N 2.74Å; P563-V565 VanDerWaalsContact O-N 3.07Å; V565-F692 HydrophobicContact CB-CE2 4.37Å; V565-F692 HydrophobicContact CB-CZ 4.47Å; V565-F692 HydrophobicContact CG1-CE2 3.82Å; V565-F692 HydrophobicContact CG1-CZ 3.9Å; V565-F692 HydrophobicContact CG2-CD1 4.18Å; V565-F692 HydrophobicContact CG2-CD2 3.99Å; V565-F692 HydrophobicContact CG2-CE1 3.92Å; V565-F692 HydrophobicContact CG2-CE2 3.72Å; V565-F692 HydrophobicContact CG2-CG 4.22Å; V565-F692 HydrophobicContact CG2-CZ 3.68Å; V565-L708 HydrophobicContact CG1-CD2 4.14Å; V565-H710 HydrophobicContact CB-CB 4.36Å; V565-H710 HydrophobicContact CG1-CB 4.29Å; V565-H710 HydrophobicContact CG2-CB 3.89Å
566	Y	98.4	Very high	97.8	Very high	40 Å²	40	37.2 Å²	37.2	16%	0.157	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	155.7	177.1	-67.2	-78.1	0	0	0	111.5	V558 E559 Q560 L637 F638 L708 L709	V558-Y566 HydrophobicContact CG1-CD1 4.11Å; E559-Y566 CarbonylContact O-C 3.49Å; E559-Y566 WeakPolarHBondContact O-CA 3.36Å; Q560-Y566 HydrophobicContact CB-CD1 4.06Å; Q560-Y566 HydrophobicContact CB-CE1 4.15Å; Q560-Y566 HydrophobicContact CG-CD1 4.14Å; Q560-Y566 HydrophobicContact CG-CE1 4.07Å; Y566-L637 HydrophobicContact CD1-CB 4.47Å; Y566-L637 HydrophobicContact CD1-CD1 4.3Å; Y566-L637 HydrophobicContact CD1-CD2 4Å; Y566-L637 HydrophobicContact CD1-CG 4.48Å; Y566-L637 HydrophobicContact CD2-CB 3.93Å; Y566-L637 HydrophobicContact CD2-CD1 4.24Å; Y566-L637 HydrophobicContact CE1-CB 4.5Å; Y566-L637 HydrophobicContact CE1-CD2 4.2Å; Y566-L637 HydrophobicContact CE2-CB 3.93Å; Y566-L637 HydrophobicContact CG-CB 4.19Å; Y566-L637 HydrophobicContact CG-CD1 3.84Å; Y566-L637 HydrophobicContact CG-CD2 4.35Å; Y566-L637 HydrophobicContact CG-CG 4.35Å; Y566-L637 PolarHBondContact OH-O 3.35Å; Y566-L637 VanDerWaalsContact OH-O 3.11Å; Y566-F638 HydrophobicContact CD2-CE1 4.25Å; Y566-F638 AromaticContact CD2-CE2 3.86Å; Y566-F638 HydrophobicContact CD2-CE2 3.86Å; Y566-F638 AromaticContact CD2-CZ 3.64Å; Y566-F638 HydrophobicContact CD2-CZ 3.64Å; Y566-F638 HydrophobicContact CE2-CD1 4.15Å; Y566-F638 HydrophobicContact CE2-CD2 4.43Å; Y566-F638 AromaticContact CE2-CE1 3.6Å; Y566-F638 HydrophobicContact CE2-CE1 3.6Å; Y566-F638 AromaticContact CE2-CE2 3.94Å; Y566-F638 HydrophobicContact CE2-CE2 3.94Å; Y566-F638 AromaticContact CE2-CZ 3.48Å; Y566-F638 HydrophobicContact CE2-CZ 3.48Å; Y566-F638 VanDerWaalsContact CE2-CZ 3.48Å; Y566-L708 CarbonylContact O-C 3.58Å; Y566-L708 WeakPolarHBondContact O-CA 3.36Å; Y566-L709 PolarHBondContact N-O 2.88Å; Y566-L709 PolarHBondContact O-N 3.17Å
567	W	98.4	Very high	98.1	Very high	23 Å²	23	37.7 Å²	37.7	9%	0.087	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	120.4	-178.2	-163.1	15.5	0	0	0	110.8	E559 P561 S701 R703 W706 A707 L708	E559-W567 HydrophobicContact CB-CB 4.42Å; E559-W567 PolarHBondContact N-O 3.46Å; E559-W567 PolarHBondContact O-N 3.06Å; P561-W567 HydrophobicContact CB-CE3 4.39Å; P561-W567 HydrophobicContact CG-CB 4.03Å; P561-W567 HydrophobicContact CG-CE3 3.98Å; W567-S701 VanDerWaalsContact CH2-O 3.29Å; W567-S701 WeakPolarHBondContact CH2-O 3.49Å; W567-R703 VanDerWaalsContact CD2-NH2 3.28Å; W567-R703 HydrophobicContact CH2-CB 4.47Å; W567-R703 HydrophobicContact CH2-CG 3.84Å; W567-R703 HydrophobicContact CZ2-CB 3.78Å; W567-R703 HydrophobicContact CZ2-CG 3.66Å; W567-W706 AromaticContact CD1-CE3 3.93Å; W567-W706 HydrophobicContact CD2-CE3 4.3Å; W567-W706 HydrophobicContact CG-CE3 4.09Å; W567-A707 WeakPolarHBondContact CA-O 3.48Å; W567-L708 HydrophobicContact CB-CD2 3.91Å; W567-L708 HydrophobicContact CD2-CD2 4.02Å; W567-L708 HydrophobicContact CG-CD2 3.6Å
568	F	98.6	Very high	98.2	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	154	-174.1	62.3	-89	0	0	0	112.2	V558 L570 M633 L637 L674 W706 A707 L709	V558-F568 HydrophobicContact CB-CB 4.46Å; V558-F568 HydrophobicContact CG1-CB 4.25Å; V558-F568 HydrophobicContact CG2-CB 3.88Å; F568-L570 HydrophobicContact CD2-CB 4.31Å; F568-L570 HydrophobicContact CE2-CB 3.95Å; F568-L570 HydrophobicContact CE2-CD1 4.18Å; F568-L570 HydrophobicContact CE2-CD2 4.42Å; F568-L570 HydrophobicContact CE2-CG 4.39Å; F568-M633 HydrophobicContact CB-CE 4.44Å; F568-M633 HydrophobicContact CD1-CG 3.91Å; F568-M633 HydrophobicContact CD2-CE 3.91Å; F568-M633 HydrophobicContact CD2-CG 3.97Å; F568-M633 HydrophobicContact CD2-SD 4.45Å; F568-M633 HydrophobicContact CE1-CG 3.71Å; F568-M633 HydrophobicContact CE2-CB 4.38Å; F568-M633 HydrophobicContact CE2-CE 4.42Å; F568-M633 HydrophobicContact CE2-CG 3.78Å; F568-M633 HydrophobicContact CG-CE 4.2Å; F568-M633 HydrophobicContact CG-CG 4.04Å; F568-M633 HydrophobicContact CG-SD 4.31Å; F568-M633 HydrophobicContact CZ-CB 4.3Å; F568-M633 HydrophobicContact CZ-CG 3.65Å; F568-L637 HydrophobicContact CD1-CD1 4.2Å; F568-L637 HydrophobicContact CE1-CD1 4.44Å; F568-L674 HydrophobicContact CZ-CD1 4.21Å; F568-W706 VanDerWaalsContact C-CE3 3.5Å; F568-W706 CarbonylContact O-C 3.59Å; F568-W706 WeakPolarHBondContact O-CA 3.4Å; F568-A707 HydrophobicContact CE1-CB 4.3Å; F568-A707 HydrophobicContact CE2-CB 4.13Å; F568-A707 HydrophobicContact CZ-CB 3.95Å; F568-A707 PolarHBondContact N-O 3.06Å; F568-A707 VanDerWaalsContact N-O 3.14Å; F568-A707 PolarHBondContact O-N 3.19Å; F568-L709 HydrophobicContact CE1-CB 3.88Å; F568-L709 HydrophobicContact CE1-CD1 4.11Å; F568-L709 HydrophobicContact CZ-CD1 4.39Å
569	P	98.4	Very high	98.3	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	130.8	173.9	27.2	-32.5	0	0	0	110.8	H545 N547 Y548 A551 I557 W706	H545-P569 HydrophobicContact CB-CB 4.02Å; H545-P569 VanDerWaalsContact CG-CB 3.47Å; N547-P569 HydrophobicContact CB-CG 4.33Å; Y548-P569 WeakPolarHBondContact CD2-O 3.39Å; A551-P569 HydrophobicContact CB-CG 4.01Å; I557-P569 HydrophobicContact CG2-CG 3.82Å; P569-W706 HydrophobicContact CB-CD2 4.24Å; P569-W706 HydrophobicContact CB-CG 4.5Å; P569-W706 HydrophobicContact CB-CZ2 4.19Å; P569-W706 HydrophobicContact CG-CH2 4.46Å; P569-W706 HydrophobicContact CG-CZ2 4.25Å
570	L	98.7	Very high	98.3	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.17	C	C	.	.			trans	-127.7	-56.8	-176.8	178	59.3	0	0	0	112.9	H545 Y548 F568 L625 V630 L674 V676 G705 A707	H545-L570 PolarHBondContact N-O 2.92Å; Y548-L570 HydrophobicContact CD2-CD1 4.12Å; Y548-L570 HydrophobicContact CE2-CD1 4.14Å; F568-L570 HydrophobicContact CD2-CB 4.31Å; F568-L570 HydrophobicContact CE2-CB 3.95Å; F568-L570 HydrophobicContact CE2-CD1 4.18Å; F568-L570 HydrophobicContact CE2-CD2 4.42Å; F568-L570 HydrophobicContact CE2-CG 4.39Å; L570-L625 HydrophobicContact CD1-CD2 4.48Å; L570-L625 HydrophobicContact CD2-CD2 4.45Å; L570-V630 HydrophobicContact CD1-CG2 4.21Å; L570-V630 HydrophobicContact CD2-CG2 3.89Å; L570-L674 HydrophobicContact CD2-CD1 4.28Å; L570-L674 HydrophobicContact CD2-CD2 4.15Å; L570-V676 HydrophobicContact CD2-CG2 4.02Å; L570-G705 PolarHBondContact N-O 2.95Å; L570-A707 HydrophobicContact CB-CB 3.94Å; L570-A707 HydrophobicContact CD2-CB 3.8Å
571	L	98.8	Very high	98.3	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.162	C	C	.	.	B	Isolated β-bridge	trans	-104.9	146.4	-175.7	-51.9	-178.3	0	0	0	110.9	Y543 H545 M575 W622 L625 V676 L678 G705	Y543-L571 WeakPolarHBondContact O-CA 3.34Å; H545-L571 WeakPolarHBondContact CB-O 3.31Å; H545-L571 PolarHBondContact CD2-O 3.12Å; L571-M575 HydrophobicContact CB-CB 4.11Å; L571-M575 HydrophobicContact CB-CG 3.96Å; L571-M575 HydrophobicContact CD1-CG 3.96Å; L571-M575 HydrophobicContact CD2-CG 4.02Å; L571-M575 HydrophobicContact CG-CG 4.18Å; L571-W622 HydrophobicContact CD1-CH2 4.22Å; L571-W622 HydrophobicContact CD1-CZ3 4.35Å; L571-L625 HydrophobicContact CD2-CD1 3.63Å; L571-V676 HydrophobicContact CD1-CG1 3.85Å; L571-V676 HydrophobicContact CG-CG1 4.11Å; L571-L678 HydrophobicContact CD1-CD2 4.17Å; L571-G705 PolarHBondContact N-O 2.9Å; L571-G705 VanDerWaalsContact O-CA 3.22Å; L571-G705 WeakPolarHBondContact O-CA 3.45Å
572	S	98.7	Very high	98.4	Very high	20 Å²	20	28.3 Å²	28.3	14%	0.14	15%	0.15	C	C	.	.			trans	-69.5	161.8	168.5	72.5	0	0	0	0	110.6	Q542 Y543 Q574 M575 C576	Q542-S572 WeakPolarHBondContact O-CB 3.45Å; Q542-S572 PolarHBondContact O-OG 2.77Å; Y543-S572 WeakPolarHBondContact CA-OG 3.33Å; Y543-S572 PolarHBondContact O-N 3.39Å; Y543-S572 PolarHBondContact O-OG 2.96Å; S572-Q574 PolarHBondContact O-N 3.31Å; S572-M575 PolarHBondContact O-N 2.9Å; S572-M575 PolarHBondContact OG-N 3.08Å; S572-M575 VanDerWaalsContact OG-N 3.14Å; S572-C576 PolarHBondContact O-N 2.67Å; S572-C576 PolarHBondContact O-SG 2.88Å; S572-C576 VanDerWaalsContact O-SG 3.35Å
573	E	98.2	Very high	98.4	Very high	109 Å²	109	28.1 Å²	28.1	51%	0.509	15%	0.149	S	C	.	.	H	α-helix	trans	-61.1	-37.9	174.6	-66.8	-166.9	-179.4	0	0	111.7	M575 C576 D577 H680 K704	E573-M575 PolarHBondContact O-N 3.08Å; E573-C576 WeakPolarHBondContact O-CB 3.4Å; E573-C576 PolarHBondContact O-N 3Å; E573-C576 VanDerWaalsContact O-N 3.12Å; E573-D577 PolarHBondContact O-N 2.92Å; E573-D577 VanDerWaalsContact O-OD2 3.12Å; E573-H680 IonicContact OE1-CE1 3.11Å; E573-H680 IonicContact OE1-NE2 2.59Å; E573-H680 IonicContact OE2-NE2 3.2Å; E573-K704 HydrophobicContact CB-CD 4.39Å; E573-K704 HydrophobicContact CG-CD 4.08Å
574	Q	98.4	Very high	98.4	Very high	83 Å²	83	27.9 Å²	27.9	39%	0.388	14%	0.142	S	C	.	.	H	α-helix	trans	-59.8	-45.7	176.4	-175.5	176.5	-3.4	0	0	112	Y543 S572 C576 D577 E578	Y543-Q574 HydrophobicContact CE1-CG 4.29Å; S572-Q574 PolarHBondContact O-N 3.31Å; Q574-C576 VanDerWaalsContact C-N 3.26Å; Q574-C576 PolarHBondContact O-N 2.8Å; Q574-D577 PolarHBondContact O-N 3.5Å; Q574-E578 HydrophobicContact CG-CG 4.28Å; Q574-E578 WeakPolarHBondContact CG-OE1 3.49Å; Q574-E578 PolarHBondContact NE2-OE1 3.2Å; Q574-E578 WeakPolarHBondContact O-CB 3.31Å; Q574-E578 WeakPolarHBondContact O-CG 3.27Å; Q574-E578 PolarHBondContact O-N 3.09Å
575	M	98.6	Very high	98.4	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-57.4	-43	174.3	177.5	62.8	-165.6	0	0	111.6	L529 W539 Y543 L571 S572 E573 L579 Y618 W622	L529-M575 HydrophobicContact CD2-CE 4.08Å; L529-M575 HydrophobicContact CD2-SD 3.36Å; L529-M575 WeakPolarHBondContact CD2-SD 3.36Å; W539-M575 HydrophobicContact CZ2-SD 4.19Å; Y543-M575 HydrophobicContact CD1-CB 3.68Å; Y543-M575 HydrophobicContact CD1-CG 4.33Å; Y543-M575 HydrophobicContact CD1-SD 3.85Å; Y543-M575 HydrophobicContact CG-CB 4.25Å; Y543-M575 HydrophobicContact CG-SD 3.97Å; Y543-M575 WeakPolarHBondContact O-CB 3.15Å; L571-M575 HydrophobicContact CB-CB 4.11Å; L571-M575 HydrophobicContact CB-CG 3.96Å; L571-M575 HydrophobicContact CD1-CG 3.96Å; L571-M575 HydrophobicContact CD2-CG 4.02Å; L571-M575 HydrophobicContact CG-CG 4.18Å; S572-M575 PolarHBondContact O-N 2.9Å; S572-M575 PolarHBondContact OG-N 3.08Å; S572-M575 VanDerWaalsContact OG-N 3.14Å; E573-M575 PolarHBondContact O-N 3.08Å; M575-L579 HydrophobicContact CE-CB 4.37Å; M575-L579 HydrophobicContact CE-CD2 4.26Å; M575-L579 WeakPolarHBondContact O-CB 3.14Å; M575-L579 PolarHBondContact O-N 3.42Å; M575-Y618 HydrophobicContact CE-CE1 4.15Å; M575-W622 HydrophobicContact CE-CZ3 4.19Å
576	C	98.8	Very high	98.4	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-64.9	-44.8	-179.9	-66.1	0	0	0	0	112	S572 E573 Q574 V580 L678 K704	S572-C576 PolarHBondContact O-N 2.67Å; S572-C576 PolarHBondContact O-SG 2.88Å; S572-C576 VanDerWaalsContact O-SG 3.35Å; E573-C576 WeakPolarHBondContact O-CB 3.4Å; E573-C576 PolarHBondContact O-N 3Å; E573-C576 VanDerWaalsContact O-N 3.12Å; Q574-C576 VanDerWaalsContact C-N 3.26Å; Q574-C576 PolarHBondContact O-N 2.8Å; C576-V580 WeakPolarHBondContact O-CB 3.28Å; C576-V580 VanDerWaalsContact O-CG2 3.27Å; C576-V580 WeakPolarHBondContact O-CG2 3.43Å; C576-V580 PolarHBondContact O-N 3.33Å; C576-V580 VanDerWaalsContact O-N 3.08Å; C576-L678 HydrophobicContact CB-CB 4.35Å; C576-L678 HydrophobicContact CB-CD2 4.3Å; C576-L678 VanDerWaalsContact CB-O 3.31Å; C576-L678 WeakPolarHBondContact CB-O 3.42Å; C576-K704 HydrophobicContact CB-CD 4.4Å; C576-K704 HydrophobicContact CB-CG 4.08Å
577	D	98.6	Very high	98.2	Very high	80 Å²	80	33.8 Å²	33.8	43%	0.428	18%	0.177	S	C	.	.	H	α-helix	trans	-67.4	-47.1	-178.9	-67.5	-36.1	0	0	0	111.8	E573 Q574 V580 A581 K704	E573-D577 PolarHBondContact O-N 2.92Å; E573-D577 VanDerWaalsContact O-OD2 3.12Å; Q574-D577 PolarHBondContact O-N 3.5Å; D577-V580 PolarHBondContact O-N 3.49Å; D577-A581 WeakPolarHBondContact O-CB 3.37Å; D577-A581 PolarHBondContact O-N 3.36Å; D577-K704 WeakPolarHBondContact OD1-CE 3.31Å; D577-K704 IonicContact OD1-NZ 3.49Å; D577-K704 PolarHBondContact OD1-NZ 3.48Å; D577-K704 IonicContact OD2-NZ 3.4Å; D577-K704 PolarHBondContact OD2-NZ 3.33Å
578	E	98.6	Very high	97.9	Very high	24 Å²	24	38.3 Å²	38.3	11%	0.112	20%	0.199	C	C	.	.	H	α-helix	trans	-65.6	-40.3	179.4	-67.6	-177.1	-165.4	0	0	111.5	H526 L529 Y543 Q574 V580 A581 E582	H526-E578 HydrophobicContact CB-CB 4.02Å; H526-E578 HydrophobicContact CB-CG 4.2Å; H526-E578 IonicContact CG-OE2 3.97Å; L529-E578 HydrophobicContact CD1-CB 4Å; L529-E578 HydrophobicContact CD2-CB 4.11Å; L529-E578 HydrophobicContact CG-CB 4.16Å; Y543-E578 WeakPolarHBondContact CE1-OE2 3.37Å; Y543-E578 VanDerWaalsContact CZ-OE2 3.26Å; Y543-E578 PolarHBondContact OH-OE2 3.17Å; Q574-E578 HydrophobicContact CG-CG 4.28Å; Q574-E578 WeakPolarHBondContact CG-OE1 3.49Å; Q574-E578 PolarHBondContact NE2-OE1 3.2Å; Q574-E578 WeakPolarHBondContact O-CB 3.31Å; Q574-E578 WeakPolarHBondContact O-CG 3.27Å; Q574-E578 PolarHBondContact O-N 3.09Å; E578-V580 PolarHBondContact O-N 2.92Å; E578-A581 PolarHBondContact O-N 3.03Å; E578-E582 WeakPolarHBondContact O-CB 3.29Å; E578-E582 PolarHBondContact O-N 3.32Å
579	L	98.6	Very high	97.6	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.005	20%	0.204	C	C	.	.	H	α-helix	trans	-63.2	-43.5	176	-176.6	66.8	0	0	0	111.4	M575 E582 M583 Y618 V652 L678	M575-L579 HydrophobicContact CE-CB 4.37Å; M575-L579 HydrophobicContact CE-CD2 4.26Å; M575-L579 WeakPolarHBondContact O-CB 3.14Å; M575-L579 PolarHBondContact O-N 3.42Å; L579-E582 PolarHBondContact O-N 3.05Å; L579-M583 HydrophobicContact CD1-CE 3.69Å; L579-M583 HydrophobicContact CG-CE 4.47Å; L579-M583 VanDerWaalsContact O-CG 3.32Å; L579-M583 WeakPolarHBondContact O-CG 3.23Å; L579-M583 PolarHBondContact O-N 3.19Å; L579-M583 VanDerWaalsContact O-N 3.08Å; L579-Y618 HydrophobicContact CD1-CD1 4.27Å; L579-Y618 HydrophobicContact CD1-CE1 4.25Å; L579-V652 HydrophobicContact CD2-CG2 4.18Å; L579-V652 HydrophobicContact CG-CG2 4.41Å; L579-L678 HydrophobicContact CD2-CD1 4.11Å; L579-L678 HydrophobicContact CD2-CD2 4.2Å
580	V	98.6	Very high	97.2	Very high	21 Å²	21	40.2 Å²	40.2	13%	0.127	21%	0.207	C	C	.	.	H	α-helix	trans	-64.1	-43	176.5	169	0	0	0	0	110.9	C576 D577 E578 E582 M583 E584 L678 Y729	C576-V580 WeakPolarHBondContact O-CB 3.28Å; C576-V580 VanDerWaalsContact O-CG2 3.27Å; C576-V580 WeakPolarHBondContact O-CG2 3.43Å; C576-V580 PolarHBondContact O-N 3.33Å; C576-V580 VanDerWaalsContact O-N 3.08Å; D577-V580 PolarHBondContact O-N 3.49Å; E578-V580 PolarHBondContact O-N 2.92Å; V580-E582 VanDerWaalsContact C-N 3.33Å; V580-E582 PolarHBondContact O-N 3.09Å; V580-M583 PolarHBondContact O-N 3.04Å; V580-E584 PolarHBondContact O-N 2.82Å; V580-L678 HydrophobicContact CG2-CB 3.66Å; V580-L678 HydrophobicContact CG2-CD1 3.85Å; V580-L678 HydrophobicContact CG2-CG 4.4Å; V580-Y729 HydrophobicContact CG1-CD1 4.42Å; V580-Y729 HydrophobicContact CG1-CD2 3.75Å; V580-Y729 HydrophobicContact CG1-CE1 4.34Å; V580-Y729 HydrophobicContact CG1-CE2 3.68Å; V580-Y729 HydrophobicContact CG1-CG 4.14Å; V580-Y729 HydrophobicContact CG2-CD2 4.07Å; V580-Y729 HydrophobicContact CG2-CG 3.97Å
581	A	98.5	Very high	96.1	Very high	33 Å²	33	43.2 Å²	43.2	27%	0.273	24%	0.238	S	C	.	.	H	α-helix	trans	-60.1	-43	177.5	0	0	0	0	0	111.6	L525 D577 E578 E584 H585	L525-A581 HydrophobicContact CD2-CB 4.07Å; D577-A581 WeakPolarHBondContact O-CB 3.37Å; D577-A581 PolarHBondContact O-N 3.36Å; E578-A581 PolarHBondContact O-N 3.03Å; A581-E584 PolarHBondContact O-N 3.42Å; A581-H585 VanDerWaalsContact O-CB 3.29Å; A581-H585 WeakPolarHBondContact O-CB 3.38Å; A581-H585 PolarHBondContact O-N 3.37Å
582	E	98.4	Very high	94.7	Very high	15 Å²	15	44.3 Å²	44.3	7%	0.07	25%	0.249	C	C	.	.	H	α-helix	trans	-64.8	-40.2	177.4	-158.6	72.8	-136	0	0	112.1	L525 H526 L529 W530 E578 L579 V580 H585 Y586	L525-E582 WeakPolarHBondContact CB-OE2 3.02Å; L525-E582 PolarHBondContact N-OE1 3.48Å; L525-E582 PolarHBondContact N-OE2 3.18Å; H526-E582 PolarHBondContact N-OE2 3.41Å; L529-E582 HydrophobicContact CD1-CB 4.49Å; W530-E582 HydrophobicContact CH2-CG 3.7Å; W530-E582 HydrophobicContact CZ3-CG 4.15Å; E578-E582 WeakPolarHBondContact O-CB 3.29Å; E578-E582 PolarHBondContact O-N 3.32Å; L579-E582 PolarHBondContact O-N 3.05Å; V580-E582 VanDerWaalsContact C-N 3.33Å; V580-E582 PolarHBondContact O-N 3.09Å; E582-H585 PolarHBondContact O-N 3.14Å; E582-Y586 PolarHBondContact O-N 2.82Å
583	M	97.9	Very high	93.5	Very high	1 Å²	1	52.4 Å²	52.4	1%	0.005	28%	0.277	C	S	.	.	H	α-helix	trans	-64.5	-43.9	175.2	-65.2	-48.6	105.3	0	0	112	L579 V580 H585 Y586 G587 W589 I611 M613 V616 V652	L579-M583 HydrophobicContact CD1-CE 3.69Å; L579-M583 HydrophobicContact CG-CE 4.47Å; L579-M583 VanDerWaalsContact O-CG 3.32Å; L579-M583 WeakPolarHBondContact O-CG 3.23Å; L579-M583 PolarHBondContact O-N 3.19Å; L579-M583 VanDerWaalsContact O-N 3.08Å; V580-M583 PolarHBondContact O-N 3.04Å; M583-H585 VanDerWaalsContact C-N 3.34Å; M583-Y586 PolarHBondContact O-N 3.47Å; M583-G587 PolarHBondContact O-N 2.97Å; M583-W589 HydrophobicContact CB-CH2 3.91Å; M583-W589 HydrophobicContact CB-CZ2 3.87Å; M583-I611 HydrophobicContact CB-CD1 4.08Å; M583-I611 VanDerWaalsContact O-CD1 3.26Å; M583-I611 WeakPolarHBondContact O-CD1 3.46Å; M583-I611 HydrophobicContact SD-CB 4.09Å; M583-I611 HydrophobicContact SD-CG2 3.8Å; M583-M613 HydrophobicContact CE-CE 4.17Å; M583-M613 HydrophobicContact SD-CE 3.86Å; M583-V616 HydrophobicContact CE-CB 4.45Å; M583-V616 HydrophobicContact CE-CG1 4.32Å; M583-V616 HydrophobicContact CE-CG2 3.77Å; M583-V616 HydrophobicContact SD-CG1 4.41Å; M583-V616 HydrophobicContact SD-CG2 4.37Å; M583-V652 HydrophobicContact CG-CB 3.88Å; M583-V652 HydrophobicContact CG-CG1 4.08Å; M583-V652 HydrophobicContact CG-CG2 3.88Å; M583-V652 HydrophobicContact SD-CB 4.3Å; M583-V652 HydrophobicContact SD-CG2 4.18Å
584	E	98	Very high	91.8	Very high	62 Å²	62	50.4 Å²	50.4	29%	0.29	27%	0.267	S	S	.	.	H	α-helix	trans	-70.7	-30.7	177.7	-73.4	-64.3	170.3	0	0	112.3	V580 A581 G587 W589 R654 R656 Y729	V580-E584 PolarHBondContact O-N 2.82Å; A581-E584 PolarHBondContact O-N 3.42Å; E584-G587 WeakPolarHBondContact O-CA 3.36Å; E584-G587 PolarHBondContact O-N 3.47Å; E584-W589 HydrophobicContact CG-CZ2 4.07Å; E584-W589 WeakPolarHBondContact OE1-CZ2 3.35Å; E584-W589 PolarHBondContact OE2-NE1 2.9Å; E584-W589 VanDerWaalsContact OE2-NE1 3.1Å; E584-R654 VanDerWaalsContact OE1-CD 3.3Å; E584-R654 WeakPolarHBondContact OE1-CD 3.38Å; E584-R654 IonicContact OE1-CZ 3.59Å; E584-R654 IonicContact OE1-NE 3.9Å; E584-R654 IonicContact OE1-NH1 3.84Å; E584-R654 PolarHBondContact OE1-NH1 2.8Å; E584-R654 IonicContact OE2-NH1 3.8Å; E584-R654 PolarHBondContact OE2-NH1 3.09Å; E584-R656 IonicContact OE1-NH2 2.84Å; E584-R656 PolarHBondContact OE1-NH2 3.12Å; E584-Y729 HydrophobicContact CG-CE1 4.49Å; E584-Y729 WeakPolarHBondContact OE1-CE1 3.22Å; E584-Y729 PolarHBondContact OE1-OH 2.77Å
585	H	97.8	Very high	90	Very high	130 Å²	130	54 Å²	54	60%	0.602	28%	0.284	S	S	*	.	H	α-helix	trans	-63.8	-42.5	172.2	-175.8	69.6	0	0	0	111.9	L525 A581 E582 M583	L525-H585 HydrophobicContact CD2-CB 3.97Å; A581-H585 VanDerWaalsContact O-CB 3.29Å; A581-H585 WeakPolarHBondContact O-CB 3.38Å; A581-H585 PolarHBondContact O-N 3.37Å; E582-H585 PolarHBondContact O-N 3.14Å; M583-H585 VanDerWaalsContact C-N 3.34Å
586	Y	96.9	Very high	88.1	Confident	69 Å²	69	54.5 Å²	54.5	27%	0.271	29%	0.287	S	S	.	.	H	α-helix	trans	-62.8	-42.4	172.5	178.9	-112.8	0	0	0	111.9	E582 M583 Q588 I611 Q615 V616	E582-Y586 PolarHBondContact O-N 2.82Å; M583-Y586 PolarHBondContact O-N 3.47Å; Y586-Q588 HydrophobicContact CD1-CB 4.09Å; Y586-Q588 HydrophobicContact CE1-CB 3.59Å; Y586-Q588 HydrophobicContact CE1-CG 4.29Å; Y586-Q588 PolarHBondContact O-N 3.32Å; Y586-Q588 PolarHBondContact OH-OE1 3.19Å; Y586-I611 HydrophobicContact CD1-CD1 3.88Å; Y586-I611 HydrophobicContact CD1-CG1 4.16Å; Y586-I611 HydrophobicContact CD1-CG2 3.88Å; Y586-I611 HydrophobicContact CE1-CG2 4.13Å; Y586-Q615 HydrophobicContact CE1-CB 4.1Å; Y586-V616 HydrophobicContact CD1-CG1 3.92Å; Y586-V616 HydrophobicContact CD2-CG1 4.1Å; Y586-V616 HydrophobicContact CE1-CG1 4.5Å; Y586-V616 HydrophobicContact CG-CG1 3.68Å
587	G	94.1	Very high	86.1	Confident	39 Å²	39	60.4 Å²	60.4	40%	0.402	33%	0.328	S	S	.	.			trans	70.9	-12.2	166.5	0	0	0	0	0	116.9	M583 E584 W589	M583-G587 PolarHBondContact O-N 2.97Å; E584-G587 WeakPolarHBondContact O-CA 3.36Å; E584-G587 PolarHBondContact O-N 3.47Å; G587-W589 VanDerWaalsContact C-N 3.31Å; G587-W589 VanDerWaalsContact O-CD1 3.32Å; G587-W589 PolarHBondContact O-N 2.61Å
588	Q	92.9	Very high	84.5	Confident	118 Å²	118	60 Å²	60	55%	0.551	32%	0.32	S	S	*	.			trans	-87.2	64.9	-178.9	-55	-179.8	22.9	0	0	112	Y586 R598	Y586-Q588 HydrophobicContact CD1-CB 4.09Å; Y586-Q588 HydrophobicContact CE1-CB 3.59Å; Y586-Q588 HydrophobicContact CE1-CG 4.29Å; Y586-Q588 PolarHBondContact O-N 3.32Å; Y586-Q588 PolarHBondContact OH-OE1 3.19Å; Q588-R598 PolarHBondContact O-NH1 2.95Å
589	W	92.8	Very high	82.7	Confident	31 Å²	31	60.2 Å²	60.2	12%	0.117	32%	0.322	C	S	.	.			trans	-64.6	151.4	175.7	-62.8	88.5	0	0	0	112.6	M583 E584 G587 V609 I611 V652 R654 Y729	M583-W589 HydrophobicContact CB-CH2 3.91Å; M583-W589 HydrophobicContact CB-CZ2 3.87Å; E584-W589 HydrophobicContact CG-CZ2 4.07Å; E584-W589 WeakPolarHBondContact OE1-CZ2 3.35Å; E584-W589 PolarHBondContact OE2-NE1 2.9Å; E584-W589 VanDerWaalsContact OE2-NE1 3.1Å; G587-W589 VanDerWaalsContact C-N 3.31Å; G587-W589 VanDerWaalsContact O-CD1 3.32Å; G587-W589 PolarHBondContact O-N 2.61Å; W589-V609 HydrophobicContact CB-CG1 3.96Å; W589-V609 HydrophobicContact CE3-CG1 4.31Å; W589-I611 HydrophobicContact CD2-CD1 3.53Å; W589-I611 HydrophobicContact CD2-CG1 3.94Å; W589-I611 HydrophobicContact CE3-CD1 3.82Å; W589-I611 HydrophobicContact CE3-CG1 3.85Å; W589-I611 HydrophobicContact CG-CD1 3.98Å; W589-I611 HydrophobicContact CG-CG1 4.33Å; W589-I611 HydrophobicContact CH2-CD1 4.1Å; W589-I611 HydrophobicContact CZ2-CD1 3.84Å; W589-I611 HydrophobicContact CZ3-CD1 4.09Å; W589-I611 HydrophobicContact CZ3-CG1 4.25Å; W589-V652 HydrophobicContact CH2-CG1 4.09Å; W589-V652 HydrophobicContact CZ3-CG1 4.33Å; W589-R654 HydrophobicContact CD2-CB 4.44Å; W589-R654 HydrophobicContact CE3-CB 3.77Å; W589-R654 HydrophobicContact CH2-CB 3.87Å; W589-R654 HydrophobicContact CZ2-CB 4.49Å; W589-R654 HydrophobicContact CZ3-CB 3.47Å; W589-R654 VanDerWaalsContact CZ3-CB 3.47Å; W589-Y729 AromaticContact CH2-CD1 3.98Å; W589-Y729 HydrophobicContact CH2-CD1 3.98Å; W589-Y729 AromaticContact CH2-CE1 3.8Å; W589-Y729 HydrophobicContact CH2-CE1 3.8Å; W589-Y729 AromaticContact CZ2-CE1 3.96Å; W589-Y729 HydrophobicContact CZ2-CE1 3.96Å
590	S	88.6	Confident	80.7	Confident	8 Å²	8	65.1 Å²	65.1	6%	0.056	36%	0.363	C	S	.	.			trans	-63.4	159.1	175.9	108.7	0	0	0	0	111.9	G592 R598 T608 V609 D610	S590-G592 VanDerWaalsContact C-N 3.28Å; S590-G592 PolarHBondContact O-N 2.57Å; S590-G592 PolarHBondContact OG-N 3.42Å; S590-R598 VanDerWaalsContact CA-CZ 3.47Å; S590-R598 VanDerWaalsContact CA-NH2 3.32Å; S590-R598 VanDerWaalsContact N-NH1 3.17Å; S590-T608 PolarHBondContact OG-O 3.14Å; S590-V609 WeakPolarHBondContact OG-CA 3.31Å; S590-D610 PolarHBondContact N-O 3.36Å
591	G	76.4	Confident	78.8	Confident	64 Å²	64	67.8 Å²	67.8	66%	0.66	39%	0.394	S	S	*	.			trans	-81.8	2.2	172.8	0	0	0	0	0	115	R593	G591-R593 VanDerWaalsContact C-N 3.28Å; G591-R593 PolarHBondContact O-N 3.2Å
592	G	69.9	Low	76.9	Confident	22 Å²	22	67.5 Å²	67.5	23%	0.227	40%	0.395	C	S	.	.	S	Bend	trans	64	29.1	-175	0	0	0	0	0	113.8	S590 P607	S590-G592 VanDerWaalsContact C-N 3.28Å; S590-G592 PolarHBondContact O-N 2.57Å; S590-G592 PolarHBondContact OG-N 3.42Å; G592-P607 WeakPolarHBondContact O-CG 3.27Å
593	R	72.4	Confident	75	Confident	191 Å²	191	73.2 Å²	73.2	72%	0.721	42%	0.417	S	S	*	.	S	Bend	trans	-110.9	153.4	-178.3	-63.9	-177	-175.9	-176.5	1.6	111	G591 E595 P607	G591-R593 VanDerWaalsContact C-N 3.28Å; G591-R593 PolarHBondContact O-N 3.2Å; R593-E595 PolarHBondContact O-N 2.89Å; R593-P607 VanDerWaalsContact O-CB 3.26Å; R593-P607 WeakPolarHBondContact O-CB 3.35Å
594	H	62.4	Low	73.3	Confident	67 Å²	67	74.2 Å²	74.2	31%	0.31	42%	0.421	S	S	.	.	S	Bend	trans	-60.5	-27.8	178.9	-76.7	-70.4	0	0	0	113.9	Y603 E604 N605 P607	H594-Y603 HydrophobicContact CB-CD2 4.44Å; H594-Y603 HydrophobicContact CB-CE2 3.84Å; H594-Y603 CarbonylContact O-C 3.45Å; H594-Y603 VanDerWaalsContact O-CA 3.23Å; H594-Y603 WeakPolarHBondContact O-CA 3.46Å; H594-Y603 WeakPolarHBondContact O-CD2 3.44Å; H594-E604 PolarHBondContact ND1-O 3.1Å; H594-E604 PolarHBondContact O-N 3.12Å; H594-N605 PolarHBondContact CE1-O 3.06Å; H594-N605 VanDerWaalsContact CE1-O 3.25Å; H594-P607 VanDerWaalsContact CE1-CD 3.41Å; H594-P607 WeakPolarHBondContact CE1-CD 3.17Å
595	E	60.3	Low	71.6	Confident	159 Å²	159	77.1 Å²	77.1	74%	0.743	44%	0.439	S	S	*	.	B	Isolated β-bridge	trans	-98.1	120.1	174.9	-70	178	-179.2	0	0	109.6	R593 G602 Y603	R593-E595 PolarHBondContact O-N 2.89Å; E595-G602 VanDerWaalsContact CA-O 3.3Å; E595-G602 WeakPolarHBondContact CA-O 3.19Å; E595-Y603 HydrophobicContact CG-CD2 4.32Å
596	D	59.8	Low	70.5	Confident	10 Å²	10	72.4 Å²	72.4	5%	0.053	42%	0.419	C	S	.	.			trans	-131.9	105.2	176.9	-164.7	-33.4	0	0	0	110.6	R598 L599 G602	D596-R598 PolarHBondContact O-N 3.42Å; D596-R598 VanDerWaalsContact O-N 3.13Å; D596-R598 WeakPolarHBondContact OD1-CA 3.4Å; D596-R598 WeakPolarHBondContact OD1-CB 3.32Å; D596-R598 WeakPolarHBondContact OD1-CG 3.46Å; D596-R598 IonicContact OD1-CZ 3.63Å; D596-R598 PolarHBondContact OD1-N 3.29Å; D596-R598 IonicContact OD1-NE 3.22Å; D596-R598 PolarHBondContact OD1-NE 2.91Å; D596-R598 IonicContact OD1-NH2 3.88Å; D596-R598 IonicContact OD2-CZ 2.8Å; D596-R598 VanDerWaalsContact OD2-CZ 3.3Å; D596-R598 IonicContact OD2-NE 3.73Å; D596-R598 PolarHBondContact OD2-NE 2.7Å; D596-R598 VanDerWaalsContact OD2-NE 3.13Å; D596-R598 IonicContact OD2-NH2 3.86Å; D596-R598 PolarHBondContact OD2-NH2 3.5Å; D596-L599 HydrophobicContact CB-CD1 3.85Å; D596-L599 HydrophobicContact CB-CG 3.98Å; D596-L599 PolarHBondContact O-N 3.39Å; D596-L599 VanDerWaalsContact O-N 3.14Å; D596-G602 PolarHBondContact N-O 3.1Å; D596-G602 WeakPolarHBondContact O-CA 3.29Å
597	S	56.3	Low	69.7	Low	123 Å²	123	69.8 Å²	69.8	86%	0.86	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-9.8	179.8	54.7	0	0	0	0	114
598	R	64.3	Low	69.2	Low	72 Å²	72	68.1 Å²	68.1	27%	0.272	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-17.1	176.9	-50.4	170.9	-57.3	139.5	21.8	111.4	Q588 S590 D596 D610	Q588-R598 PolarHBondContact O-NH1 2.95Å; S590-R598 VanDerWaalsContact CA-CZ 3.47Å; S590-R598 VanDerWaalsContact CA-NH2 3.32Å; S590-R598 VanDerWaalsContact N-NH1 3.17Å; D596-R598 PolarHBondContact O-N 3.42Å; D596-R598 VanDerWaalsContact O-N 3.13Å; D596-R598 WeakPolarHBondContact OD1-CA 3.4Å; D596-R598 WeakPolarHBondContact OD1-CB 3.32Å; D596-R598 WeakPolarHBondContact OD1-CG 3.46Å; D596-R598 IonicContact OD1-CZ 3.63Å; D596-R598 PolarHBondContact OD1-N 3.29Å; D596-R598 IonicContact OD1-NE 3.22Å; D596-R598 PolarHBondContact OD1-NE 2.91Å; D596-R598 IonicContact OD1-NH2 3.88Å; D596-R598 IonicContact OD2-CZ 2.8Å; D596-R598 VanDerWaalsContact OD2-CZ 3.3Å; D596-R598 IonicContact OD2-NE 3.73Å; D596-R598 PolarHBondContact OD2-NE 2.7Å; D596-R598 VanDerWaalsContact OD2-NE 3.13Å; D596-R598 IonicContact OD2-NH2 3.86Å; D596-R598 PolarHBondContact OD2-NH2 3.5Å; R598-D610 PolarHBondContact NH1-O 2.97Å; R598-D610 VanDerWaalsContact NH1-O 3.16Å; R598-D610 PolarHBondContact NH2-O 3.46Å; R598-D610 IonicContact NH2-OD1 3.89Å; R598-D610 PolarHBondContact NH2-OD1 3.45Å
599	L	62.3	Low	69.2	Low	28 Å²	28	63 Å²	63	15%	0.147	37%	0.369	C	S	.	.	S	Bend	trans	-92.2	142.8	-179.3	-59.7	177.8	0	0	0	112.5	D596 G601 G602 E604 H612	D596-L599 HydrophobicContact CB-CD1 3.85Å; D596-L599 HydrophobicContact CB-CG 3.98Å; D596-L599 PolarHBondContact O-N 3.39Å; D596-L599 VanDerWaalsContact O-N 3.14Å; L599-G601 PolarHBondContact O-N 3.29Å; L599-G602 PolarHBondContact O-N 2.85Å; L599-E604 HydrophobicContact CD1-CB 4.28Å; L599-H612 WeakPolarHBondContact CD2-NE2 3.47Å
600	A	56.4	Low	69.1	Low	104 Å²	104	61.5 Å²	61.5	86%	0.86	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	92.6	170.4	0	0	0	0	0	110
601	G	58.3	Low	69.4	Low	77 Å²	77	61.1 Å²	61.1	79%	0.794	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	126.2	-10.1	-176	0	0	0	0	0	114.3	L599 Y603	L599-G601 PolarHBondContact O-N 3.29Å; G601-Y603 PolarHBondContact O-N 2.86Å
602	G	59.9	Low	70.3	Confident	27 Å²	27	58.6 Å²	58.6	28%	0.278	33%	0.332	S	S	.	.	S	Bend	trans	70.1	-0.2	165.1	0	0	0	0	0	117.2	E595 D596 L599	E595-G602 VanDerWaalsContact CA-O 3.3Å; E595-G602 WeakPolarHBondContact CA-O 3.19Å; D596-G602 PolarHBondContact N-O 3.1Å; D596-G602 WeakPolarHBondContact O-CA 3.29Å; L599-G602 PolarHBondContact O-N 2.85Å
603	Y	56.4	Low	71.5	Confident	135 Å²	135	57.6 Å²	57.6	53%	0.529	32%	0.321	S	S	.	.	B	Isolated β-bridge	trans	-140.7	129.9	-171.9	-161.3	-92.3	0	0	0	113.6	H594 E595 G601	H594-Y603 HydrophobicContact CB-CD2 4.44Å; H594-Y603 HydrophobicContact CB-CE2 3.84Å; H594-Y603 CarbonylContact O-C 3.45Å; H594-Y603 VanDerWaalsContact O-CA 3.23Å; H594-Y603 WeakPolarHBondContact O-CA 3.46Å; H594-Y603 WeakPolarHBondContact O-CD2 3.44Å; E595-Y603 HydrophobicContact CG-CD2 4.32Å; G601-Y603 PolarHBondContact O-N 2.86Å
604	E	64	Low	72.5	Confident	22 Å²	22	55 Å²	55	10%	0.103	32%	0.316	C	S	.	.			trans	-119.5	122.7	178.1	-170.9	169.5	-145.2	0	0	111.2	H594 L599 V606 P607	H594-E604 PolarHBondContact ND1-O 3.1Å; H594-E604 PolarHBondContact O-N 3.12Å; L599-E604 HydrophobicContact CD1-CB 4.28Å; E604-V606 VanDerWaalsContact C-N 3.27Å; E604-V606 PolarHBondContact O-N 2.87Å; E604-P607 VanDerWaalsContact OE2-CA 3.28Å; E604-P607 WeakPolarHBondContact OE2-CA 3.37Å
605	N	62.2	Low	74	Confident	123 Å²	123	53.8 Å²	53.8	66%	0.658	31%	0.31	S	S	*	.	S	Bend	trans	-68.5	-25.5	-173.4	-68.1	-22.6	0	0	0	113.2	H594 R664	H594-N605 PolarHBondContact CE1-O 3.06Å; H594-N605 VanDerWaalsContact CE1-O 3.25Å; N605-R664 PolarHBondContact O-NH2 2.9Å
606	V	73.2	Confident	75.7	Confident	32 Å²	32	47.2 Å²	47.2	19%	0.194	28%	0.28	C	S	.	.	S	Bend	trans	-142.7	89	178.4	-171.1	0	0	0	0	107.9	E604 L663 R664 H666	E604-V606 VanDerWaalsContact C-N 3.27Å; E604-V606 PolarHBondContact O-N 2.87Å; V606-L663 HydrophobicContact CG1-CD1 3.67Å; V606-L663 HydrophobicContact CG1-CG 4.27Å; V606-R664 HydrophobicContact CG1-CG 4.22Å; V606-H666 HydrophobicContact CG1-CB 4.22Å; V606-H666 HydrophobicContact CG2-CB 3.82Å
607	P	80.7	Confident	77.4	Confident	14 Å²	14	49 Å²	49	9%	0.091	30%	0.301	C	S	.	.			trans	-74.4	141.6	-167.4	30.2	-36.9	0	0	0	112.8	G592 R593 H594 E604 Q660	G592-P607 WeakPolarHBondContact O-CG 3.27Å; R593-P607 VanDerWaalsContact O-CB 3.26Å; R593-P607 WeakPolarHBondContact O-CB 3.35Å; H594-P607 VanDerWaalsContact CE1-CD 3.41Å; H594-P607 WeakPolarHBondContact CE1-CD 3.17Å; E604-P607 VanDerWaalsContact OE2-CA 3.28Å; E604-P607 WeakPolarHBondContact OE2-CA 3.37Å; P607-Q660 PolarHBondContact O-NE2 3.29Å
608	T	84.3	Confident	79.4	Confident	4 Å²	4	43.3 Å²	43.3	3%	0.025	26%	0.261	C	S	.	.			trans	-123.7	151.7	173.3	34.3	0	0	0	0	111.2	S590 D610 V653 Q660 L663	S590-T608 PolarHBondContact OG-O 3.14Å; T608-D610 WeakPolarHBondContact CB-OD2 3.48Å; T608-D610 VanDerWaalsContact O-CG 3.28Å; T608-D610 PolarHBondContact O-N 2.76Å; T608-D610 PolarHBondContact OG1-OD2 2.94Å; T608-V653 HydrophobicContact CG2-CG1 4Å; T608-V653 HydrophobicContact CG2-CG2 4.4Å; T608-Q660 VanDerWaalsContact CA-OE1 3.25Å; T608-L663 HydrophobicContact CG2-CD1 3.56Å; T608-L663 HydrophobicContact CG2-CD2 3.79Å; T608-L663 HydrophobicContact CG2-CG 4.27Å
609	V	91.5	Very high	81	Confident	9 Å²	9	42 Å²	42	6%	0.055	26%	0.258	C	S	.	.	S	Bend	trans	-72.8	102.4	166.1	175.9	0	0	0	0	108.3	W589 S590 R654 Q660	W589-V609 HydrophobicContact CB-CG1 3.96Å; W589-V609 HydrophobicContact CE3-CG1 4.31Å; S590-V609 WeakPolarHBondContact OG-CA 3.31Å; V609-R654 HydrophobicContact CG1-CB 4.48Å; V609-R654 PolarHBondContact O-N 2.82Å; V609-Q660 HydrophobicContact CG2-CB 3.83Å
610	D	92.3	Very high	82.7	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	168.4	-169.4	55.6	43.9	0	0	0	114.9	S590 R598 T608 H612 F651 V652 V653	S590-D610 PolarHBondContact N-O 3.36Å; R598-D610 PolarHBondContact NH1-O 2.97Å; R598-D610 VanDerWaalsContact NH1-O 3.16Å; R598-D610 PolarHBondContact NH2-O 3.46Å; R598-D610 IonicContact NH2-OD1 3.89Å; R598-D610 PolarHBondContact NH2-OD1 3.45Å; T608-D610 WeakPolarHBondContact CB-OD2 3.48Å; T608-D610 VanDerWaalsContact O-CG 3.28Å; T608-D610 PolarHBondContact O-N 2.76Å; T608-D610 PolarHBondContact OG1-OD2 2.94Å; D610-H612 IonicContact OD1-CD2 3Å; D610-F651 HydrophobicContact CB-CB 4.35Å; D610-F651 HydrophobicContact CB-CD2 3.9Å; D610-V652 WeakPolarHBondContact CA-O 3.48Å; D610-V652 WeakPolarHBondContact CB-O 3.48Å; D610-V653 HydrophobicContact CB-CG2 4.36Å
611	I	94.5	Very high	84.7	Confident	0 Å²	0	42 Å²	42	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	123.8	169.7	-65.7	163.8	0	0	0	107.9	M583 Y586 W589 Q615 V616 F651 V652	M583-I611 HydrophobicContact CB-CD1 4.08Å; M583-I611 VanDerWaalsContact O-CD1 3.26Å; M583-I611 WeakPolarHBondContact O-CD1 3.46Å; M583-I611 HydrophobicContact SD-CB 4.09Å; M583-I611 HydrophobicContact SD-CG2 3.8Å; Y586-I611 HydrophobicContact CD1-CD1 3.88Å; Y586-I611 HydrophobicContact CD1-CG1 4.16Å; Y586-I611 HydrophobicContact CD1-CG2 3.88Å; Y586-I611 HydrophobicContact CE1-CG2 4.13Å; W589-I611 HydrophobicContact CD2-CD1 3.53Å; W589-I611 HydrophobicContact CD2-CG1 3.94Å; W589-I611 HydrophobicContact CE3-CD1 3.82Å; W589-I611 HydrophobicContact CE3-CG1 3.85Å; W589-I611 HydrophobicContact CG-CD1 3.98Å; W589-I611 HydrophobicContact CG-CG1 4.33Å; W589-I611 HydrophobicContact CH2-CD1 4.1Å; W589-I611 HydrophobicContact CZ2-CD1 3.84Å; W589-I611 HydrophobicContact CZ3-CD1 4.09Å; W589-I611 HydrophobicContact CZ3-CG1 4.25Å; I611-Q615 HydrophobicContact CG2-CB 4.39Å; I611-V616 HydrophobicContact CG2-CG1 3.86Å; I611-F651 CarbonylContact O-C 3.57Å; I611-F651 VanDerWaalsContact O-CA 3.22Å; I611-F651 WeakPolarHBondContact O-CA 3.49Å; I611-F651 WeakPolarHBondContact O-CB 3.11Å; I611-V652 PolarHBondContact N-O 3.12Å; I611-V652 VanDerWaalsContact N-O 3.08Å; I611-V652 PolarHBondContact O-N 2.97Å
612	H	94.3	Very high	86.6	Confident	12 Å²	12	38.3 Å²	38.3	6%	0.056	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	143.1	174	-76	-116.1	0	0	0	111.3	L599 D610 K614 Q615 N650 F651	L599-H612 WeakPolarHBondContact CD2-NE2 3.47Å; D610-H612 IonicContact OD1-CD2 3Å; H612-K614 PolarHBondContact O-N 2.76Å; H612-Q615 HydrophobicContact CB-CG 4.22Å; H612-Q615 WeakPolarHBondContact O-CB 3.35Å; H612-Q615 PolarHBondContact O-N 2.93Å; H612-N650 CarbonylContact C-O 3.55Å; H612-N650 WeakPolarHBondContact CA-O 3.36Å; H612-F651 HydrophobicContact CB-CB 4.48Å; H612-F651 AromaticContact CE1-CD1 3.87Å
613	M	95.8	Very high	88.5	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-30.7	177.8	-61.8	-60.6	100.1	0	0	112.4	M583 Q615 V616 G617 Y618 E619 W622 N650 V652 M731	M583-M613 HydrophobicContact CE-CE 4.17Å; M583-M613 HydrophobicContact SD-CE 3.86Å; M613-Q615 VanDerWaalsContact C-N 3.3Å; M613-Q615 PolarHBondContact O-N 2.98Å; M613-V616 VanDerWaalsContact O-CG2 3.3Å; M613-V616 WeakPolarHBondContact O-CG2 3.33Å; M613-V616 PolarHBondContact O-N 3.29Å; M613-G617 PolarHBondContact O-N 3.46Å; M613-Y618 PolarHBondContact O-N 3.07Å; M613-Y618 HydrophobicContact SD-CD1 3.88Å; M613-E619 HydrophobicContact CB-CB 4.16Å; M613-E619 PolarHBondContact O-N 3.44Å; M613-W622 HydrophobicContact CG-CB 4.15Å; M613-W622 HydrophobicContact CG-CG 4.2Å; M613-N650 HydrophobicContact CB-CB 4.21Å; M613-N650 HydrophobicContact CG-CB 3.7Å; M613-N650 WeakPolarHBondContact CG-O 3.19Å; M613-N650 PolarHBondContact N-O 3.32Å; M613-V652 HydrophobicContact CE-CB 4.38Å; M613-V652 HydrophobicContact CE-CG2 3.65Å; M613-M731 HydrophobicContact CE-CE 3.91Å; M613-M731 HydrophobicContact CE-SD 3.81Å; M613-M731 HydrophobicContact CG-CE 3.53Å; M613-M731 HydrophobicContact SD-CE 3.68Å; M613-M731 HydrophobicContact SD-SD 4.21Å
614	K	93.9	Very high	90.5	Very high	138 Å²	138	34.1 Å²	34.1	60%	0.6	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-33.8	175.9	-172.7	175.5	-178.1	177	0	113.2	H612 V616 G617 E619	H612-K614 PolarHBondContact O-N 2.76Å; K614-V616 VanDerWaalsContact C-N 3.28Å; K614-V616 PolarHBondContact O-N 3.08Å; K614-G617 PolarHBondContact O-N 3.42Å; K614-E619 HydrophobicContact CB-CB 4.35Å
615	Q	92.8	Very high	92.1	Very high	40 Å²	40	33.1 Å²	33.1	19%	0.187	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-29.6	-178	-65.2	175	-104.7	0	0	112.3	Y586 I611 H612 M613	Y586-Q615 HydrophobicContact CE1-CB 4.1Å; I611-Q615 HydrophobicContact CG2-CB 4.39Å; H612-Q615 HydrophobicContact CB-CG 4.22Å; H612-Q615 WeakPolarHBondContact O-CB 3.35Å; H612-Q615 PolarHBondContact O-N 2.93Å; M613-Q615 VanDerWaalsContact C-N 3.3Å; M613-Q615 PolarHBondContact O-N 2.98Å
616	V	96.2	Very high	93.9	Very high	21 Å²	21	27.3 Å²	27.3	13%	0.127	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.5	7.8	178.4	-63.2	0	0	0	0	112.5	M583 Y586 I611 M613 K614 Y618	M583-V616 HydrophobicContact CE-CB 4.45Å; M583-V616 HydrophobicContact CE-CG1 4.32Å; M583-V616 HydrophobicContact CE-CG2 3.77Å; M583-V616 HydrophobicContact SD-CG1 4.41Å; M583-V616 HydrophobicContact SD-CG2 4.37Å; Y586-V616 HydrophobicContact CD1-CG1 3.92Å; Y586-V616 HydrophobicContact CD2-CG1 4.1Å; Y586-V616 HydrophobicContact CE1-CG1 4.5Å; Y586-V616 HydrophobicContact CG-CG1 3.68Å; I611-V616 HydrophobicContact CG2-CG1 3.86Å; M613-V616 VanDerWaalsContact O-CG2 3.3Å; M613-V616 WeakPolarHBondContact O-CG2 3.33Å; M613-V616 PolarHBondContact O-N 3.29Å; K614-V616 VanDerWaalsContact C-N 3.28Å; K614-V616 PolarHBondContact O-N 3.08Å; V616-Y618 VanDerWaalsContact C-N 3.3Å; V616-Y618 PolarHBondContact O-N 3.33Å
617	G	96.9	Very high	95.1	Very high	48 Å²	48	30.8 Å²	30.8	50%	0.495	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.2	28.6	-180	0	0	0	0	0	114.7	W530 M613 K614 Q621	W530-G617 PolarHBondContact NE1-O 3.43Å; W530-G617 VanDerWaalsContact NE1-O 3.07Å; M613-G617 PolarHBondContact O-N 3.46Å; K614-G617 PolarHBondContact O-N 3.42Å; G617-Q621 PolarHBondContact O-OE1 2.83Å
618	Y	98.1	Very high	95.9	Very high	3 Å²	3	32.8 Å²	32.8	1%	0.012	17%	0.169	C	C	.	.			trans	-111.2	5.7	-178.4	-158.8	-116.7	0	0	0	113.9	L529 W530 M575 L579 M613 V616 Q621 W622	L529-Y618 HydrophobicContact CB-CE2 3.98Å; L529-Y618 VanDerWaalsContact O-CE2 3.28Å; L529-Y618 WeakPolarHBondContact O-CE2 3.44Å; L529-Y618 PolarHBondContact O-OH 3.09Å; W530-Y618 AromaticContact CD2-CD2 3.78Å; W530-Y618 HydrophobicContact CD2-CD2 3.78Å; W530-Y618 AromaticContact CD2-CE2 3.96Å; W530-Y618 HydrophobicContact CD2-CE2 3.96Å; W530-Y618 AromaticContact CE2-CD2 3.46Å; W530-Y618 VanDerWaalsContact CE2-CD2 3.46Å; W530-Y618 HydrophobicContact CE3-CD2 4.3Å; W530-Y618 HydrophobicContact CE3-CE2 4.26Å; W530-Y618 HydrophobicContact CG-CD2 4.21Å; W530-Y618 HydrophobicContact CG-CE2 4.25Å; W530-Y618 HydrophobicContact CH2-CD2 4.26Å; W530-Y618 AromaticContact CZ2-CD2 3.72Å; W530-Y618 HydrophobicContact CZ2-CD2 3.72Å; W530-Y618 HydrophobicContact CZ2-CG 4.34Å; W530-Y618 AromaticContact NE1-CD2 3.7Å; M575-Y618 HydrophobicContact CE-CE1 4.15Å; L579-Y618 HydrophobicContact CD1-CD1 4.27Å; L579-Y618 HydrophobicContact CD1-CE1 4.25Å; M613-Y618 PolarHBondContact O-N 3.07Å; M613-Y618 HydrophobicContact SD-CD1 3.88Å; V616-Y618 VanDerWaalsContact C-N 3.3Å; V616-Y618 PolarHBondContact O-N 3.33Å; Y618-Q621 HydrophobicContact CD2-CB 3.66Å; Y618-Q621 HydrophobicContact CD2-CG 3.88Å; Y618-Q621 HydrophobicContact CE1-CB 4.34Å; Y618-Q621 HydrophobicContact CE2-CB 3.46Å; Y618-Q621 VanDerWaalsContact CE2-CB 3.46Å; Y618-Q621 HydrophobicContact CE2-CG 3.76Å; Y618-Q621 HydrophobicContact CG-CB 4.19Å; Y618-W622 HydrophobicContact CD1-CB 4.3Å; Y618-W622 HydrophobicContact CE1-CE3 4.32Å; Y618-W622 WeakPolarHBondContact O-CB 3.39Å; Y618-W622 PolarHBondContact O-N 3.3Å
619	E	97.6	Very high	96.6	Very high	46 Å²	46	33.4 Å²	33.4	22%	0.215	17%	0.171	C	C	.	.	H	α-helix	trans	-62.6	-46.5	-176	178.9	164.1	63.7	0	0	112.4	M613 K614 Q621 W622 L623	M613-E619 HydrophobicContact CB-CB 4.16Å; M613-E619 PolarHBondContact O-N 3.44Å; K614-E619 HydrophobicContact CB-CB 4.35Å; E619-Q621 VanDerWaalsContact C-N 3.35Å; E619-Q621 PolarHBondContact O-N 3.1Å; E619-W622 PolarHBondContact O-N 3.41Å; E619-L623 HydrophobicContact CG-CD1 3.95Å; E619-L623 HydrophobicContact CG-CG 4.31Å; E619-L623 WeakPolarHBondContact O-CB 3.34Å; E619-L623 WeakPolarHBondContact O-CG 3.16Å; E619-L623 PolarHBondContact O-N 3.39Å
620	D	98	Very high	96.9	Very high	104 Å²	104	33 Å²	33	56%	0.556	17%	0.169	S	C	*	.	H	α-helix	trans	-64.7	-41.1	-178.3	-74.9	-36.8	0	0	0	112	F533 L623 Q624	F533-D620 HydrophobicContact CE2-CB 4.43Å; F533-D620 HydrophobicContact CZ-CB 4.3Å; F533-D620 WeakPolarHBondContact CZ-O 3.37Å; D620-L623 PolarHBondContact O-N 3.05Å; D620-Q624 PolarHBondContact O-N 3.11Å
621	Q	98.5	Very high	97.2	Very high	26 Å²	26	33.2 Å²	33.2	12%	0.121	17%	0.171	C	C	.	.	H	α-helix	trans	-62.7	-48.8	176.9	-67.4	69.4	20	0	0	110.3	W530 I532 F533 G617 Y618 E619 L623 Q624 L625	W530-Q621 HydrophobicContact CB-CG 4.5Å; W530-Q621 VanDerWaalsContact CD1-CD 3.5Å; W530-Q621 HydrophobicContact CG-CG 4.26Å; I532-Q621 HydrophobicContact CG2-CB 3.93Å; I532-Q621 HydrophobicContact CG2-CG 4Å; F533-Q621 HydrophobicContact CD2-CG 4.4Å; F533-Q621 HydrophobicContact CE2-CB 4.44Å; F533-Q621 HydrophobicContact CE2-CG 3.88Å; G617-Q621 PolarHBondContact O-OE1 2.83Å; Y618-Q621 HydrophobicContact CD2-CB 3.66Å; Y618-Q621 HydrophobicContact CD2-CG 3.88Å; Y618-Q621 HydrophobicContact CE1-CB 4.34Å; Y618-Q621 HydrophobicContact CE2-CB 3.46Å; Y618-Q621 VanDerWaalsContact CE2-CB 3.46Å; Y618-Q621 HydrophobicContact CE2-CG 3.76Å; Y618-Q621 HydrophobicContact CG-CB 4.19Å; E619-Q621 VanDerWaalsContact C-N 3.35Å; E619-Q621 PolarHBondContact O-N 3.1Å; Q621-L623 PolarHBondContact O-N 3.2Å; Q621-Q624 WeakPolarHBondContact O-CB 3.47Å; Q621-Q624 PolarHBondContact O-N 2.02Å; Q621-Q624 VanDerWaalsContact O-N 3.12Å; Q621-L625 PolarHBondContact O-N 3.29Å
622	W	98.6	Very high	97.4	Very high	1 Å²	1	35.8 Å²	35.8	0%	0.004	19%	0.187	C	C	.	.	H	α-helix	trans	-62.5	-42.3	177.4	-173.6	-101.7	0	0	0	112.2	L571 M575 M613 Y618 E619 Q624 L625 L626 L674 M731 S733	L571-W622 HydrophobicContact CD1-CH2 4.22Å; L571-W622 HydrophobicContact CD1-CZ3 4.35Å; M575-W622 HydrophobicContact CE-CZ3 4.19Å; M613-W622 HydrophobicContact CG-CB 4.15Å; M613-W622 HydrophobicContact CG-CG 4.2Å; Y618-W622 HydrophobicContact CD1-CB 4.3Å; Y618-W622 HydrophobicContact CE1-CE3 4.32Å; Y618-W622 WeakPolarHBondContact O-CB 3.39Å; Y618-W622 PolarHBondContact O-N 3.3Å; E619-W622 PolarHBondContact O-N 3.41Å; W622-Q624 PolarHBondContact O-N 3.03Å; W622-L625 HydrophobicContact CE3-CD1 3.96Å; W622-L625 HydrophobicContact CH2-CD1 4.25Å; W622-L625 HydrophobicContact CH2-CD2 4.39Å; W622-L625 HydrophobicContact CZ3-CD1 3.68Å; W622-L625 WeakPolarHBondContact O-CB 3.39Å; W622-L625 PolarHBondContact O-N 2.96Å; W622-L625 VanDerWaalsContact O-N 3.1Å; W622-L626 HydrophobicContact CZ2-CD2 4.4Å; W622-L626 WeakPolarHBondContact O-CG 3.42Å; W622-L626 PolarHBondContact O-N 3.28Å; W622-L674 HydrophobicContact CZ2-CD2 4.15Å; W622-M731 HydrophobicContact CD2-CE 3.58Å; W622-M731 HydrophobicContact CE3-CE 4.25Å; W622-M731 HydrophobicContact CG-CE 3.87Å; W622-M731 HydrophobicContact CH2-CB 4.28Å; W622-M731 HydrophobicContact CH2-CE 4.34Å; W622-M731 HydrophobicContact CH2-CG 3.37Å; W622-M731 HydrophobicContact CZ2-CB 4.48Å; W622-M731 HydrophobicContact CZ2-CE 3.68Å; W622-M731 HydrophobicContact CZ2-CG 3.31Å; W622-M731 HydrophobicContact CZ2-SD 4.35Å; W622-M731 HydrophobicContact CZ3-CG 4.04Å; W622-M731 VanDerWaalsContact NE1-CE 3.29Å; W622-S733 PolarHBondContact NE1-OG 3.3Å
623	L	98.5	Very high	97.6	Very high	23 Å²	23	35.2 Å²	35.2	12%	0.12	19%	0.185	C	C	.	.	H	α-helix	trans	-62.3	-32.7	175	-72.8	177	0	0	0	112.3	E619 D620 Q621 L626 R627 A647	E619-L623 HydrophobicContact CG-CD1 3.95Å; E619-L623 HydrophobicContact CG-CG 4.31Å; E619-L623 WeakPolarHBondContact O-CB 3.34Å; E619-L623 WeakPolarHBondContact O-CG 3.16Å; E619-L623 PolarHBondContact O-N 3.39Å; D620-L623 PolarHBondContact O-N 3.05Å; Q621-L623 PolarHBondContact O-N 3.2Å; L623-L626 HydrophobicContact CD2-CD1 4.15Å; L623-L626 PolarHBondContact O-N 2.88Å; L623-R627 WeakPolarHBondContact O-CG 3.21Å; L623-R627 PolarHBondContact O-N 2.92Å; L623-A647 HydrophobicContact CD2-CB 4.05Å; L623-A647 WeakPolarHBondContact CD2-O 3.35Å
624	Q	98.6	Very high	97.7	Very high	51 Å²	51	35.2 Å²	35.2	24%	0.238	19%	0.185	C	C	.	.	H	α-helix	trans	-67.8	-39.3	173.4	-173.3	59	32.1	0	0	111.9	I532 F533 D620 Q621 W622 R627 T628	I532-Q624 HydrophobicContact CD1-CB 4.1Å; I532-Q624 HydrophobicContact CD1-CG 4.08Å; I532-Q624 HydrophobicContact CG1-CG 4.19Å; I532-Q624 HydrophobicContact CG2-CB 4.36Å; I532-Q624 HydrophobicContact CG2-CG 4.48Å; F533-Q624 HydrophobicContact CD1-CB 4.44Å; F533-Q624 HydrophobicContact CD1-CG 4.03Å; F533-Q624 HydrophobicContact CE1-CB 3.54Å; F533-Q624 HydrophobicContact CE1-CG 3.53Å; F533-Q624 HydrophobicContact CZ-CB 3.69Å; F533-Q624 HydrophobicContact CZ-CG 4.19Å; D620-Q624 PolarHBondContact O-N 3.11Å; Q621-Q624 WeakPolarHBondContact O-CB 3.47Å; Q621-Q624 PolarHBondContact O-N 2.02Å; Q621-Q624 VanDerWaalsContact O-N 3.12Å; W622-Q624 PolarHBondContact O-N 3.03Å; Q624-R627 PolarHBondContact O-N 3.31Å; Q624-T628 PolarHBondContact NE2-OG1 3.45Å; Q624-T628 VanDerWaalsContact O-CB 3.31Å; Q624-T628 WeakPolarHBondContact O-CB 3.39Å; Q624-T628 PolarHBondContact O-N 2.99Å; Q624-T628 PolarHBondContact O-OG1 3.22Å
625	L	98.7	Very high	97.9	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.005	17%	0.171	C	C	.	.	H	α-helix	trans	-59	-48	171.1	-179.3	164.5	0	0	0	110.5	I532 W539 L570 L571 Q621 W622 R627 T628 Y629 V630	I532-L625 HydrophobicContact CD1-CB 3.95Å; W539-L625 HydrophobicContact CH2-CB 4.5Å; W539-L625 HydrophobicContact CH2-CD1 3.68Å; W539-L625 HydrophobicContact CH2-CG 4.31Å; W539-L625 HydrophobicContact CZ3-CD1 4.5Å; L570-L625 HydrophobicContact CD1-CD2 4.48Å; L570-L625 HydrophobicContact CD2-CD2 4.45Å; L571-L625 HydrophobicContact CD2-CD1 3.63Å; Q621-L625 PolarHBondContact O-N 3.29Å; W622-L625 HydrophobicContact CE3-CD1 3.96Å; W622-L625 HydrophobicContact CH2-CD1 4.25Å; W622-L625 HydrophobicContact CH2-CD2 4.39Å; W622-L625 HydrophobicContact CZ3-CD1 3.68Å; W622-L625 WeakPolarHBondContact O-CB 3.39Å; W622-L625 PolarHBondContact O-N 2.96Å; W622-L625 VanDerWaalsContact O-N 3.1Å; L625-R627 PolarHBondContact O-N 3.07Å; L625-T628 PolarHBondContact O-N 3.21Å; L625-Y629 HydrophobicContact CB-CD2 4.49Å; L625-Y629 HydrophobicContact CG-CD2 4.07Å; L625-Y629 PolarHBondContact O-N 3Å; L625-V630 HydrophobicContact CD2-CG2 4Å
626	L	98.6	Very high	98.2	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.184	C	C	.	.	I	π-helix	trans	-58.7	-46.9	178.7	-65.9	-173.7	0	0	0	111.7	W622 L623 T628 V630 G631 A645 A647 L674 V735	W622-L626 HydrophobicContact CZ2-CD2 4.4Å; W622-L626 WeakPolarHBondContact O-CG 3.42Å; W622-L626 PolarHBondContact O-N 3.28Å; L623-L626 HydrophobicContact CD2-CD1 4.15Å; L623-L626 PolarHBondContact O-N 2.88Å; L626-T628 PolarHBondContact O-N 3.41Å; L626-V630 HydrophobicContact CD2-CB 4.05Å; L626-V630 HydrophobicContact CD2-CG1 4.39Å; L626-V630 HydrophobicContact CD2-CG2 3.77Å; L626-V630 CarbonylContact O-C 3.59Å; L626-V630 PolarHBondContact O-N 3.21Å; L626-V630 VanDerWaalsContact O-N 3.12Å; L626-G631 PolarHBondContact O-N 2.82Å; L626-A645 HydrophobicContact CB-CB 3.92Å; L626-A647 HydrophobicContact CD1-CB 3.76Å; L626-L674 HydrophobicContact CD2-CD2 3.62Å; L626-V735 HydrophobicContact CD1-CG2 4.24Å
627	R	98.5	Very high	98.2	Very high	106 Å²	106	33.1 Å²	33.1	40%	0.4	18%	0.184	S	C	.	.	I	π-helix	trans	-64	-40	178.5	-74.8	-174.7	-65.7	-95.4	1.4	113.2	L623 Q624 L625 A645	L623-R627 WeakPolarHBondContact O-CG 3.21Å; L623-R627 PolarHBondContact O-N 2.92Å; Q624-R627 PolarHBondContact O-N 3.31Å; L625-R627 PolarHBondContact O-N 3.07Å; R627-A645 HydrophobicContact CG-CB 4.16Å
628	T	98.3	Very high	98.3	Very high	55 Å²	55	33 Å²	33	34%	0.337	17%	0.169	S	C	.	.	I	π-helix	trans	-83.1	-35.9	-171.5	-49	0	0	0	0	112.1	Q624 L625 L626	Q624-T628 PolarHBondContact NE2-OG1 3.45Å; Q624-T628 VanDerWaalsContact O-CB 3.31Å; Q624-T628 WeakPolarHBondContact O-CB 3.39Å; Q624-T628 PolarHBondContact O-N 2.99Å; Q624-T628 PolarHBondContact O-OG1 3.22Å; L625-T628 PolarHBondContact O-N 3.21Å; L626-T628 PolarHBondContact O-N 3.41Å
629	Y	98.6	Very high	98.2	Very high	18 Å²	18	38.3 Å²	38.3	7%	0.071	21%	0.205	C	C	.	.	I	π-helix	trans	-119.6	-43.3	-169.4	-55.8	-67.5	0	0	0	113.6	W539 K540 I544 Y548 L625 M633	W539-Y629 HydrophobicContact CE3-CE2 4.49Å; W539-Y629 AromaticContact CZ3-CE2 3.92Å; W539-Y629 HydrophobicContact CZ3-CE2 3.92Å; K540-Y629 WeakPolarHBondContact CB-OH 3.36Å; K540-Y629 HydrophobicContact CD-CE1 4.28Å; K540-Y629 HydrophobicContact CG-CE1 4.16Å; K540-Y629 WeakPolarHBondContact CG-OH 3.37Å; I544-Y629 HydrophobicContact CD1-CD1 4.4Å; I544-Y629 HydrophobicContact CD1-CD2 3.61Å; I544-Y629 HydrophobicContact CD1-CE1 4.49Å; I544-Y629 HydrophobicContact CD1-CE2 3.71Å; I544-Y629 HydrophobicContact CD1-CG 3.96Å; I544-Y629 HydrophobicContact CG1-CD1 4.37Å; I544-Y629 HydrophobicContact CG1-CD2 4.1Å; I544-Y629 HydrophobicContact CG1-CE1 4.03Å; I544-Y629 HydrophobicContact CG1-CE2 3.73Å; I544-Y629 HydrophobicContact CG1-CG 4.39Å; Y548-Y629 HydrophobicContact CD1-CD1 4.24Å; Y548-Y629 AromaticContact CE1-CD1 3.61Å; Y548-Y629 HydrophobicContact CE1-CD1 3.61Å; Y548-Y629 HydrophobicContact CE1-CE1 4.45Å; Y548-Y629 HydrophobicContact CE1-CG 4.42Å; Y548-Y629 AromaticContact CZ-CD1 3.94Å; Y548-Y629 VanDerWaalsContact OH-C 3.27Å; Y548-Y629 WeakPolarHBondContact OH-CA 3.39Å; Y548-Y629 PolarHBondContact OH-O 3.21Å; L625-Y629 HydrophobicContact CB-CD2 4.49Å; L625-Y629 HydrophobicContact CG-CD2 4.07Å; L625-Y629 PolarHBondContact O-N 3Å; Y629-M633 WeakPolarHBondContact O-CB 3.5Å; Y629-M633 PolarHBondContact O-N 3.01Å
630	V	98.6	Very high	98.2	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	23%	0.231	C	C	.	.	I	π-helix	trans	-78.5	-43.5	-176.3	179.2	0	0	0	0	111	L570 L625 L626 M633 T634 F672 L674 L709	L570-V630 HydrophobicContact CD1-CG2 4.21Å; L570-V630 HydrophobicContact CD2-CG2 3.89Å; L625-V630 HydrophobicContact CD2-CG2 4Å; L626-V630 HydrophobicContact CD2-CB 4.05Å; L626-V630 HydrophobicContact CD2-CG1 4.39Å; L626-V630 HydrophobicContact CD2-CG2 3.77Å; L626-V630 CarbonylContact O-C 3.59Å; L626-V630 PolarHBondContact O-N 3.21Å; L626-V630 VanDerWaalsContact O-N 3.12Å; V630-M633 PolarHBondContact O-N 3.14Å; V630-T634 PolarHBondContact O-N 2.86Å; V630-T634 PolarHBondContact O-OG1 3.35Å; V630-F672 HydrophobicContact CG1-CE2 4.15Å; V630-L674 HydrophobicContact CG1-CD1 3.94Å; V630-L674 HydrophobicContact CG1-CD2 4.32Å; V630-L674 HydrophobicContact CG2-CD1 4.2Å; V630-L674 HydrophobicContact CG2-CD2 3.79Å; V630-L709 HydrophobicContact CG1-CD1 4.07Å
631	G	98.3	Very high	98.1	Very high	4 Å²	4	37.7 Å²	37.7	4%	0.041	22%	0.216	C	C	.	.	H	α-helix	trans	-52.7	-57.5	178.3	0	0	0	0	0	113.1	L626 M633 T634 E635	L626-G631 PolarHBondContact O-N 2.82Å; G631-M633 VanDerWaalsContact C-N 3.3Å; G631-M633 PolarHBondContact O-N 2.85Å; G631-T634 WeakPolarHBondContact O-CB 3.43Å; G631-T634 PolarHBondContact O-N 3.19Å; G631-T634 VanDerWaalsContact O-N 3.14Å; G631-E635 WeakPolarHBondContact O-CG 3.45Å; G631-E635 PolarHBondContact O-N 2.88Å
632	P	98.4	Very high	98.1	Very high	54 Å²	54	43.3 Å²	43.3	35%	0.351	24%	0.242	S	C	.	.	H	α-helix	trans	-59.1	-36.9	177.4	-27.4	36.8	0	0	0	113.9	L552 S636	L552-P632 HydrophobicContact CD1-CB 4.4Å; L552-P632 HydrophobicContact CD2-CB 4.48Å; P632-S636 WeakPolarHBondContact O-CB 3.26Å; P632-S636 PolarHBondContact O-N 2.88Å; P632-S636 VanDerWaalsContact O-N 3.09Å
633	M	98.5	Very high	98	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.005	25%	0.247	C	C	.	.	H	α-helix	trans	-64.3	-45.8	175	-177.1	62.3	74.3	0	0	111	Y548 A551 L552 V558 F568 Y629 V630 G631 E635 S636 L637	Y548-M633 HydrophobicContact CD2-CE 4.26Å; Y548-M633 HydrophobicContact CE2-CE 3.87Å; A551-M633 HydrophobicContact CB-CE 4.29Å; L552-M633 HydrophobicContact CB-CE 3.89Å; L552-M633 HydrophobicContact CD1-CB 4.22Å; L552-M633 HydrophobicContact CD1-CE 4.03Å; L552-M633 HydrophobicContact CD1-SD 4.14Å; V558-M633 HydrophobicContact CG2-CE 4.45Å; V558-M633 HydrophobicContact CG2-SD 4.14Å; F568-M633 HydrophobicContact CB-CE 4.44Å; F568-M633 HydrophobicContact CD1-CG 3.91Å; F568-M633 HydrophobicContact CD2-CE 3.91Å; F568-M633 HydrophobicContact CD2-CG 3.97Å; F568-M633 HydrophobicContact CD2-SD 4.45Å; F568-M633 HydrophobicContact CE1-CG 3.71Å; F568-M633 HydrophobicContact CE2-CB 4.38Å; F568-M633 HydrophobicContact CE2-CE 4.42Å; F568-M633 HydrophobicContact CE2-CG 3.78Å; F568-M633 HydrophobicContact CG-CE 4.2Å; F568-M633 HydrophobicContact CG-CG 4.04Å; F568-M633 HydrophobicContact CG-SD 4.31Å; F568-M633 HydrophobicContact CZ-CB 4.3Å; F568-M633 HydrophobicContact CZ-CG 3.65Å; Y629-M633 WeakPolarHBondContact O-CB 3.5Å; Y629-M633 PolarHBondContact O-N 3.01Å; V630-M633 PolarHBondContact O-N 3.14Å; G631-M633 VanDerWaalsContact C-N 3.3Å; G631-M633 PolarHBondContact O-N 2.85Å; M633-E635 PolarHBondContact O-N 3.35Å; M633-S636 WeakPolarHBondContact O-CB 3.45Å; M633-S636 PolarHBondContact O-N 2.81Å; M633-L637 HydrophobicContact CG-CD1 3.76Å; M633-L637 HydrophobicContact CG-CG 4.35Å; M633-L637 VanDerWaalsContact O-CG 3.27Å; M633-L637 WeakPolarHBondContact O-CG 3.31Å; M633-L637 PolarHBondContact O-N 3.41Å; M633-L637 HydrophobicContact SD-CD1 3.84Å; M633-L637 HydrophobicContact SD-CD2 4.46Å; M633-L637 HydrophobicContact SD-CG 4.04Å
634	T	98.4	Very high	97.8	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-60	-44.9	177.3	-56	0	0	0	0	112	V630 G631 S636 L637 F638 Y641 F672 L709	V630-T634 PolarHBondContact O-N 2.86Å; V630-T634 PolarHBondContact O-OG1 3.35Å; G631-T634 WeakPolarHBondContact O-CB 3.43Å; G631-T634 PolarHBondContact O-N 3.19Å; G631-T634 VanDerWaalsContact O-N 3.14Å; T634-S636 VanDerWaalsContact C-N 3.28Å; T634-S636 PolarHBondContact O-N 2.98Å; T634-L637 PolarHBondContact O-N 2.83Å; T634-F638 HydrophobicContact CG2-CD2 4.13Å; T634-F638 PolarHBondContact O-N 2.91Å; T634-Y641 HydrophobicContact CG2-CD1 3.91Å; T634-Y641 HydrophobicContact CG2-CE1 4.06Å; T634-F672 HydrophobicContact CG2-CD1 4.13Å; T634-F672 HydrophobicContact CG2-CD2 4.34Å; T634-F672 HydrophobicContact CG2-CE1 3.92Å; T634-F672 HydrophobicContact CG2-CE2 4.14Å; T634-F672 HydrophobicContact CG2-CG 4.33Å; T634-F672 HydrophobicContact CG2-CZ 3.9Å; T634-F672 WeakPolarHBondContact OG1-CE2 3.32Å; T634-L709 HydrophobicContact CG2-CD2 4.35Å; T634-L709 WeakPolarHBondContact OG1-CD1 3.22Å
635	E	98.1	Very high	97.7	Very high	67 Å²	67	48.1 Å²	48.1	31%	0.313	26%	0.263	S	S	.	.	H	α-helix	trans	-65.3	-32.6	178.7	-62.9	-163.7	-175.8	0	0	112.3	G631 M633 F638 H642 T643	G631-E635 WeakPolarHBondContact O-CG 3.45Å; G631-E635 PolarHBondContact O-N 2.88Å; M633-E635 PolarHBondContact O-N 3.35Å; E635-F638 CarbonylContact O-C 3.52Å; E635-H642 WeakPolarHBondContact OE1-CA 3.48Å; E635-H642 IonicContact OE1-ND1 2.79Å; E635-H642 IonicContact OE2-CE1 3.48Å; E635-H642 IonicContact OE2-ND1 3.3Å; E635-H642 PolarHBondContact OE2-ND1 2.79Å; E635-T643 HydrophobicContact CG-CG2 4.06Å; E635-T643 PolarHBondContact OE1-N 2.92Å
636	S	97.8	Very high	97.5	Very high	66 Å²	66	56.2 Å²	56.2	46%	0.462	29%	0.293	S	S	.	.	H	α-helix	trans	-67.8	-44.4	174.2	-173.4	0	0	0	0	112	P632 M633 T634	P632-S636 WeakPolarHBondContact O-CB 3.26Å; P632-S636 PolarHBondContact O-N 2.88Å; P632-S636 VanDerWaalsContact O-N 3.09Å; M633-S636 WeakPolarHBondContact O-CB 3.45Å; M633-S636 PolarHBondContact O-N 2.81Å; T634-S636 VanDerWaalsContact C-N 3.28Å; T634-S636 PolarHBondContact O-N 2.98Å
637	L	97.6	Very high	97.2	Very high	21 Å²	21	56.6 Å²	56.6	11%	0.11	30%	0.297	C	S	.	.	H	α-helix	trans	-79.6	-24.5	-175.8	-62.5	175.1	0	0	0	114	V558 Y566 F568 M633 T634 P639 L709	V558-L637 HydrophobicContact CB-CD2 4.31Å; V558-L637 HydrophobicContact CG1-CD1 4.17Å; V558-L637 HydrophobicContact CG1-CD2 3.69Å; V558-L637 HydrophobicContact CG2-CD2 4.33Å; Y566-L637 HydrophobicContact CD1-CB 4.47Å; Y566-L637 HydrophobicContact CD1-CD1 4.3Å; Y566-L637 HydrophobicContact CD1-CD2 4Å; Y566-L637 HydrophobicContact CD1-CG 4.48Å; Y566-L637 HydrophobicContact CD2-CB 3.93Å; Y566-L637 HydrophobicContact CD2-CD1 4.24Å; Y566-L637 HydrophobicContact CE1-CB 4.5Å; Y566-L637 HydrophobicContact CE1-CD2 4.2Å; Y566-L637 HydrophobicContact CE2-CB 3.93Å; Y566-L637 HydrophobicContact CG-CB 4.19Å; Y566-L637 HydrophobicContact CG-CD1 3.84Å; Y566-L637 HydrophobicContact CG-CD2 4.35Å; Y566-L637 HydrophobicContact CG-CG 4.35Å; Y566-L637 PolarHBondContact OH-O 3.35Å; Y566-L637 VanDerWaalsContact OH-O 3.11Å; F568-L637 HydrophobicContact CD1-CD1 4.2Å; F568-L637 HydrophobicContact CE1-CD1 4.44Å; M633-L637 HydrophobicContact CG-CD1 3.76Å; M633-L637 HydrophobicContact CG-CG 4.35Å; M633-L637 VanDerWaalsContact O-CG 3.27Å; M633-L637 WeakPolarHBondContact O-CG 3.31Å; M633-L637 PolarHBondContact O-N 3.41Å; M633-L637 HydrophobicContact SD-CD1 3.84Å; M633-L637 HydrophobicContact SD-CD2 4.46Å; M633-L637 HydrophobicContact SD-CG 4.04Å; T634-L637 PolarHBondContact O-N 2.83Å; L637-P639 VanDerWaalsContact C-CD 3.48Å; L637-P639 WeakPolarHBondContact O-CD 3.42Å; L637-L709 HydrophobicContact CD1-CD2 4.48Å
638	F	97.5	Very high	96.8	Very high	45 Å²	45	56.3 Å²	56.3	20%	0.197	31%	0.307	C	S	.	.	S	Bend	trans	-122.1	76.3	174.7	-65.5	-73	0	0	0	111.2	D564 Y566 T634 E635 G640 Y641 L709	D564-F638 HydrophobicContact CB-CE1 4.41Å; Y566-F638 HydrophobicContact CD2-CE1 4.25Å; Y566-F638 AromaticContact CD2-CE2 3.86Å; Y566-F638 HydrophobicContact CD2-CE2 3.86Å; Y566-F638 AromaticContact CD2-CZ 3.64Å; Y566-F638 HydrophobicContact CD2-CZ 3.64Å; Y566-F638 HydrophobicContact CE2-CD1 4.15Å; Y566-F638 HydrophobicContact CE2-CD2 4.43Å; Y566-F638 AromaticContact CE2-CE1 3.6Å; Y566-F638 HydrophobicContact CE2-CE1 3.6Å; Y566-F638 AromaticContact CE2-CE2 3.94Å; Y566-F638 HydrophobicContact CE2-CE2 3.94Å; Y566-F638 AromaticContact CE2-CZ 3.48Å; Y566-F638 HydrophobicContact CE2-CZ 3.48Å; Y566-F638 VanDerWaalsContact CE2-CZ 3.48Å; T634-F638 HydrophobicContact CG2-CD2 4.13Å; T634-F638 PolarHBondContact O-N 2.91Å; E635-F638 CarbonylContact O-C 3.52Å; F638-G640 PolarHBondContact O-N 2.82Å; F638-Y641 WeakPolarHBondContact O-CB 3.43Å; F638-Y641 PolarHBondContact O-N 2.95Å; F638-L709 HydrophobicContact CD2-CD2 4.09Å; F638-L709 HydrophobicContact CE2-CD2 3.49Å; F638-L709 VanDerWaalsContact CE2-CD2 3.49Å
639	P	97.1	Very high	96.2	Very high	116 Å²	116	57.4 Å²	57.4	75%	0.753	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	125.2	180	-26.9	35	0	0	0	112.4	L637	L637-P639 VanDerWaalsContact C-CD 3.48Å; L637-P639 WeakPolarHBondContact O-CD 3.42Å
640	G	96.5	Very high	96.1	Very high	74 Å²	74	56.5 Å²	56.5	76%	0.763	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	98.3	-9.7	-177.7	0	0	0	0	0	114.5	F638	F638-G640 PolarHBondContact O-N 2.82Å
641	Y	97.6	Very high	95.9	Very high	62 Å²	62	56.9 Å²	56.9	24%	0.243	31%	0.307	C	S	.	.			trans	-88.9	140.6	165.6	-173.7	-110.4	0	0	0	110.4	T634 F638 T671 F672 D736	T634-Y641 HydrophobicContact CG2-CD1 3.91Å; T634-Y641 HydrophobicContact CG2-CE1 4.06Å; F638-Y641 WeakPolarHBondContact O-CB 3.43Å; F638-Y641 PolarHBondContact O-N 2.95Å; Y641-T671 HydrophobicContact CE2-CG2 3.8Å; Y641-T671 VanDerWaalsContact OH-CG2 3.25Å; Y641-T671 WeakPolarHBondContact OH-CG2 3.21Å; Y641-F672 AromaticContact CE1-CD1 3.86Å; Y641-F672 HydrophobicContact CE1-CD1 3.86Å; Y641-F672 AromaticContact CE1-CE1 3.82Å; Y641-F672 HydrophobicContact CE1-CE1 3.82Å; Y641-D736 WeakPolarHBondContact OH-CB 2.99Å; Y641-D736 PolarHBondContact OH-OD2 3.17Å
642	H	96.7	Very high	95.9	Very high	144 Å²	144	56.7 Å²	56.7	67%	0.667	31%	0.305	S	S	*	.			trans	-128	136.5	176.5	-69.6	-66.2	0	0	0	109.8	E635	E635-H642 WeakPolarHBondContact OE1-CA 3.48Å; E635-H642 IonicContact OE1-ND1 2.79Å; E635-H642 IonicContact OE2-CE1 3.48Å; E635-H642 IonicContact OE2-ND1 3.3Å; E635-H642 PolarHBondContact OE2-ND1 2.79Å
643	T	96.7	Very high	95.8	Very high	19 Å²	19	54.2 Å²	54.2	12%	0.117	29%	0.289	C	S	.	.			trans	-133.8	146	-174.8	-177.2	0	0	0	0	112	E635 A645 D736	E635-T643 HydrophobicContact CG-CG2 4.06Å; E635-T643 PolarHBondContact OE1-N 2.92Å; T643-A645 WeakPolarHBondContact OG1-CA 3.01Å; T643-A645 PolarHBondContact OG1-N 2.82Å; T643-D736 VanDerWaalsContact CB-OD2 3.3Å; T643-D736 WeakPolarHBondContact CB-OD2 3.3Å; T643-D736 PolarHBondContact OG1-OD2 2.94Å
644	K	95.6	Very high	95.7	Very high	156 Å²	156	55 Å²	55	68%	0.678	29%	0.292	S	S	*	.			trans	-103.8	10.9	165.7	-67.2	-176	178.5	-179.3	0	111.7	R646	K644-R646 PolarHBondContact O-N 3.32Å
645	A	95.4	Very high	95.6	Very high	1 Å²	1	55.4 Å²	55.4	1%	0.008	29%	0.293	C	S	.	.			trans	49.4	50.2	-178.9	0	0	0	0	0	113.2	L626 R627 T643 V735	L626-A645 HydrophobicContact CB-CB 3.92Å; R627-A645 HydrophobicContact CG-CB 4.16Å; T643-A645 WeakPolarHBondContact OG1-CA 3.01Å; T643-A645 PolarHBondContact OG1-N 2.82Å; A645-V735 HydrophobicContact CB-CG1 4.35Å
646	R	94.5	Very high	95.5	Very high	171 Å²	171	54.7 Å²	54.7	65%	0.645	29%	0.288	S	S	*	.			trans	-80.5	125	177.7	-69.6	179.7	173.2	163.9	-4.6	109.1	K644 V735 D736 P737	K644-R646 PolarHBondContact O-N 3.32Å; R646-V735 CarbonylContact O-C 3.16Å; R646-V735 WeakPolarHBondContact O-CA 3.49Å; R646-D736 PolarHBondContact N-OD1 3.06Å; R646-D736 VanDerWaalsContact N-OD1 3.1Å; R646-D736 PolarHBondContact O-N 2.92Å; R646-P737 WeakPolarHBondContact O-CD 3.49Å
647	A	93.4	Very high	95.4	Very high	8 Å²	8	54.3 Å²	54.3	7%	0.066	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	127.7	177.1	0	0	0	0	0	110.4	L623 L626 N650 F734 V735	L623-A647 HydrophobicContact CD2-CB 4.05Å; L623-A647 WeakPolarHBondContact CD2-O 3.35Å; L626-A647 HydrophobicContact CD1-CB 3.76Å; A647-N650 WeakPolarHBondContact CB-OD1 3.42Å; A647-N650 PolarHBondContact O-ND2 3.42Å; A647-N650 VanDerWaalsContact O-ND2 3.09Å; A647-F734 WeakPolarHBondContact CB-O 3.43Å; A647-V735 HydrophobicContact CB-CG2 4.26Å
648	V	88.4	Confident	95.1	Very high	101 Å²	101	59.6 Å²	59.6	61%	0.612	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.5	-27.5	175.4	-177.7	0	0	0	0	111
649	M	87.5	Confident	94.7	Very high	77 Å²	77	61.1 Å²	61.1	38%	0.379	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	99.6	178.7	-56.9	-61.5	-162.4	0	0	109.1	F651 S733 F734	M649-F651 HydrophobicContact CB-CD1 4.13Å; M649-F651 HydrophobicContact CB-CE1 3.86Å; M649-S733 WeakPolarHBondContact O-CA 3.41Å; M649-F734 HydrophobicContact CB-CB 4.15Å; M649-F734 HydrophobicContact CB-CD2 3.92Å; M649-F734 HydrophobicContact CB-CG 4.32Å; M649-F734 HydrophobicContact CG-CD2 4.27Å; M649-F734 PolarHBondContact O-N 2.76Å
650	N	94.6	Very high	94.5	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	113.3	176	-50.9	-73.1	0	0	0	107.5	H612 M613 A647 M731 V732 S733	H612-N650 CarbonylContact C-O 3.55Å; H612-N650 WeakPolarHBondContact CA-O 3.36Å; M613-N650 HydrophobicContact CB-CB 4.21Å; M613-N650 HydrophobicContact CG-CB 3.7Å; M613-N650 WeakPolarHBondContact CG-O 3.19Å; M613-N650 PolarHBondContact N-O 3.32Å; A647-N650 WeakPolarHBondContact CB-OD1 3.42Å; A647-N650 PolarHBondContact O-ND2 3.42Å; A647-N650 VanDerWaalsContact O-ND2 3.09Å; N650-M731 HydrophobicContact CB-CE 3.93Å; N650-V732 WeakPolarHBondContact CA-O 3.39Å; N650-S733 WeakPolarHBondContact OD1-CB 3.26Å; N650-S733 PolarHBondContact OD1-OG 3.25Å
651	F	96	Very high	94.3	Very high	8 Å²	8	55.6 Å²	55.6	4%	0.035	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	147.6	-171.1	54.8	-86.2	0	0	0	112.2	D610 I611 H612 M649 V653 V732 F734	D610-F651 HydrophobicContact CB-CB 4.35Å; D610-F651 HydrophobicContact CB-CD2 3.9Å; I611-F651 CarbonylContact O-C 3.57Å; I611-F651 VanDerWaalsContact O-CA 3.22Å; I611-F651 WeakPolarHBondContact O-CA 3.49Å; I611-F651 WeakPolarHBondContact O-CB 3.11Å; H612-F651 HydrophobicContact CB-CB 4.48Å; H612-F651 AromaticContact CE1-CD1 3.87Å; M649-F651 HydrophobicContact CB-CD1 4.13Å; M649-F651 HydrophobicContact CB-CE1 3.86Å; F651-V653 HydrophobicContact CD2-CG2 3.53Å; F651-V653 HydrophobicContact CE2-CG2 3.45Å; F651-V653 VanDerWaalsContact CE2-CG2 3.45Å; F651-V732 HydrophobicContact CE2-CB 4.07Å; F651-V732 HydrophobicContact CE2-CG1 4.46Å; F651-V732 HydrophobicContact CZ-CB 4.1Å; F651-V732 HydrophobicContact CZ-CG1 4.05Å; F651-V732 PolarHBondContact N-O 3.04Å; F651-V732 VanDerWaalsContact N-O 3.1Å; F651-V732 PolarHBondContact O-N 2.81Å; F651-F734 HydrophobicContact CE1-CE2 4.33Å; F651-F734 HydrophobicContact CZ-CE2 4.27Å; F651-F734 HydrophobicContact CZ-CZ 4.11Å
652	V	97.9	Very high	94.1	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	126.5	170.9	172.9	0	0	0	0	108.3	L579 M583 W589 D610 I611 M613 L678 Y729 I730 M731	L579-V652 HydrophobicContact CD2-CG2 4.18Å; L579-V652 HydrophobicContact CG-CG2 4.41Å; M583-V652 HydrophobicContact CG-CB 3.88Å; M583-V652 HydrophobicContact CG-CG1 4.08Å; M583-V652 HydrophobicContact CG-CG2 3.88Å; M583-V652 HydrophobicContact SD-CB 4.3Å; M583-V652 HydrophobicContact SD-CG2 4.18Å; W589-V652 HydrophobicContact CH2-CG1 4.09Å; W589-V652 HydrophobicContact CZ3-CG1 4.33Å; D610-V652 WeakPolarHBondContact CA-O 3.48Å; D610-V652 WeakPolarHBondContact CB-O 3.48Å; I611-V652 PolarHBondContact N-O 3.12Å; I611-V652 VanDerWaalsContact N-O 3.08Å; I611-V652 PolarHBondContact O-N 2.97Å; M613-V652 HydrophobicContact CE-CB 4.38Å; M613-V652 HydrophobicContact CE-CG2 3.65Å; V652-L678 HydrophobicContact CG1-CD1 3.92Å; V652-L678 HydrophobicContact CG2-CD1 3.99Å; V652-Y729 HydrophobicContact CG1-CD1 4.43Å; V652-I730 CarbonylContact C-O 3.45Å; V652-I730 VanDerWaalsContact CA-O 3.32Å; V652-I730 WeakPolarHBondContact CA-O 3.46Å; V652-M731 HydrophobicContact CG2-CB 4.3Å; V652-M731 HydrophobicContact CG2-CG 4.48Å; V652-M731 HydrophobicContact CG2-SD 3.55Å; V652-M731 VanDerWaalsContact CG2-SD 3.55Å
653	V	96.4	Very high	93.9	Very high	2 Å²	2	48.9 Å²	48.9	1%	0.012	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	140.6	175.6	-175.4	0	0	0	0	109.8	T608 D610 F651 Y655 Y729 I730 V732	T608-V653 HydrophobicContact CG2-CG1 4Å; T608-V653 HydrophobicContact CG2-CG2 4.4Å; D610-V653 HydrophobicContact CB-CG2 4.36Å; F651-V653 HydrophobicContact CD2-CG2 3.53Å; F651-V653 HydrophobicContact CE2-CG2 3.45Å; F651-V653 VanDerWaalsContact CE2-CG2 3.45Å; V653-Y655 HydrophobicContact CB-CE2 4.25Å; V653-Y655 HydrophobicContact CG1-CD1 4.45Å; V653-Y655 HydrophobicContact CG1-CD2 4.06Å; V653-Y655 HydrophobicContact CG1-CE1 3.97Å; V653-Y655 HydrophobicContact CG1-CE2 3.56Å; V653-Y655 HydrophobicContact CG1-CG 4.48Å; V653-Y729 WeakPolarHBondContact O-CA 3.43Å; V653-I730 HydrophobicContact CB-CD1 4.37Å; V653-I730 HydrophobicContact CB-CG1 3.81Å; V653-I730 HydrophobicContact CG2-CG1 4.32Å; V653-I730 PolarHBondContact N-O 2.98Å; V653-I730 PolarHBondContact O-N 3.31Å; V653-I730 VanDerWaalsContact O-N 3.12Å; V653-V732 HydrophobicContact CG2-CG2 4.32Å
654	R	96.9	Very high	93.6	Very high	18 Å²	18	54.7 Å²	54.7	7%	0.068	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	120.7	172.2	-175	174.6	79.1	-170.5	-6.1	110.7	E584 W589 V609 R656 E659 T727 Y729	E584-R654 VanDerWaalsContact OE1-CD 3.3Å; E584-R654 WeakPolarHBondContact OE1-CD 3.38Å; E584-R654 IonicContact OE1-CZ 3.59Å; E584-R654 IonicContact OE1-NE 3.9Å; E584-R654 IonicContact OE1-NH1 3.84Å; E584-R654 PolarHBondContact OE1-NH1 2.8Å; E584-R654 IonicContact OE2-NH1 3.8Å; E584-R654 PolarHBondContact OE2-NH1 3.09Å; W589-R654 HydrophobicContact CD2-CB 4.44Å; W589-R654 HydrophobicContact CE3-CB 3.77Å; W589-R654 HydrophobicContact CH2-CB 3.87Å; W589-R654 HydrophobicContact CZ2-CB 4.49Å; W589-R654 HydrophobicContact CZ3-CB 3.47Å; W589-R654 VanDerWaalsContact CZ3-CB 3.47Å; V609-R654 HydrophobicContact CG1-CB 4.48Å; V609-R654 PolarHBondContact O-N 2.82Å; R654-R656 HydrophobicContact CG-CG 4.3Å; R654-R656 VanDerWaalsContact CZ-NH1 3.3Å; R654-E659 IonicContact CZ-OE1 3.25Å; R654-E659 IonicContact CZ-OE2 3.9Å; R654-E659 IonicContact NE-OE1 2.61Å; R654-E659 IonicContact NE-OE2 3.82Å; R654-E659 PolarHBondContact NE-OE2 2.88Å; R654-E659 VanDerWaalsContact NE-OE2 3.17Å; R654-E659 VanDerWaalsContact NH2-CD 3.33Å; R654-E659 IonicContact NH2-OE1 3.39Å; R654-E659 PolarHBondContact NH2-OE1 2.87Å; R654-E659 IonicContact NH2-OE2 3.42Å; R654-E659 PolarHBondContact NH2-OE2 3.44Å; R654-T727 HydrophobicContact CG-CG2 3.49Å; R654-T727 VanDerWaalsContact CG-CG2 3.49Å; R654-Y729 HydrophobicContact CB-CD1 4.03Å; R654-Y729 HydrophobicContact CB-CE1 3.93Å; R654-Y729 VanDerWaalsContact CD-CE1 3.48Å; R654-Y729 HydrophobicContact CG-CD1 3.99Å; R654-Y729 HydrophobicContact CG-CE1 3.5Å
655	Y	96.2	Very high	93.5	Very high	8 Å²	8	49.2 Å²	49.2	3%	0.031	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	128	171.4	-60.7	-77.1	0	0	0	111.2	V653 Q660 L663 T723 R728 I730	V653-Y655 HydrophobicContact CB-CE2 4.25Å; V653-Y655 HydrophobicContact CG1-CD1 4.45Å; V653-Y655 HydrophobicContact CG1-CD2 4.06Å; V653-Y655 HydrophobicContact CG1-CE1 3.97Å; V653-Y655 HydrophobicContact CG1-CE2 3.56Å; V653-Y655 HydrophobicContact CG1-CG 4.48Å; Y655-Q660 VanDerWaalsContact CA-O 3.29Å; Y655-Q660 WeakPolarHBondContact CA-O 3.41Å; Y655-Q660 WeakPolarHBondContact CD1-O 3.47Å; Y655-L663 HydrophobicContact CE1-CB 4.17Å; Y655-T723 WeakPolarHBondContact CB-OG1 3.44Å; Y655-R728 HydrophobicContact CD2-CG 4.44Å; Y655-R728 PolarHBondContact N-O 3.13Å; Y655-R728 PolarHBondContact O-N 2.84Å; Y655-I730 HydrophobicContact CE2-CD1 3.8Å; Y655-I730 HydrophobicContact CE2-CG1 4.15Å
656	R	95.1	Very high	93.3	Very high	51 Å²	51	50 Å²	50	19%	0.192	25%	0.248	C	C	.	.			trans	-136.3	146.3	174.5	-69.1	-174.6	175.7	154.2	3.5	111.4	E584 R654 D658 E659 Q660 P661 T727 Y729	E584-R656 IonicContact OE1-NH2 2.84Å; E584-R656 PolarHBondContact OE1-NH2 3.12Å; R654-R656 HydrophobicContact CG-CG 4.3Å; R654-R656 VanDerWaalsContact CZ-NH1 3.3Å; R656-D658 WeakPolarHBondContact CB-OD1 3.32Å; R656-D658 PolarHBondContact O-N 2.94Å; R656-E659 HydrophobicContact CB-CB 4.2Å; R656-E659 HydrophobicContact CB-CG 4.34Å; R656-E659 IonicContact CZ-OE1 3.85Å; R656-E659 IonicContact NH1-OE1 3.81Å; R656-E659 PolarHBondContact NH1-OE1 3.43Å; R656-E659 PolarHBondContact O-N 2.85Å; R656-Q660 PolarHBondContact N-O 3.25Å; R656-Q660 CarbonylContact O-C 3.58Å; R656-Q660 VanDerWaalsContact O-C 3.28Å; R656-P661 VanDerWaalsContact O-CA 3.32Å; R656-P661 WeakPolarHBondContact O-CA 3.48Å; R656-T727 HydrophobicContact CG-CG2 3.68Å; R656-T727 WeakPolarHBondContact CG-OG1 3.42Å; R656-T727 PolarHBondContact NE-OG1 3Å; R656-Y729 PolarHBondContact NH2-OH 2.91Å
657	P	94.9	Very high	93.1	Very high	59 Å²	59	45.6 Å²	45.6	38%	0.383	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-33.7	175.5	-26.6	35.4	0	0	0	114.6	T724 G726	P657-T724 WeakPolarHBondContact CG-O 3.49Å; P657-G726 WeakPolarHBondContact CD-O 3.28Å
658	D	92.4	Very high	92.9	Very high	132 Å²	132	45.4 Å²	45.4	71%	0.706	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.7	-7.9	-175.1	56.8	-53.7	0	0	0	114.3	R656	R656-D658 WeakPolarHBondContact CB-OD1 3.32Å; R656-D658 PolarHBondContact O-N 2.94Å
659	E	89.9	Confident	93	Very high	76 Å²	76	43.9 Å²	43.9	36%	0.355	23%	0.226	S	C	.	.	S	Bend	trans	-115.5	-108.4	176.3	-61.4	174.3	-168.9	0	0	109.4	R654 R656 P661	R654-E659 IonicContact CZ-OE1 3.25Å; R654-E659 IonicContact CZ-OE2 3.9Å; R654-E659 IonicContact NE-OE1 2.61Å; R654-E659 IonicContact NE-OE2 3.82Å; R654-E659 PolarHBondContact NE-OE2 2.88Å; R654-E659 VanDerWaalsContact NE-OE2 3.17Å; R654-E659 VanDerWaalsContact NH2-CD 3.33Å; R654-E659 IonicContact NH2-OE1 3.39Å; R654-E659 PolarHBondContact NH2-OE1 2.87Å; R654-E659 IonicContact NH2-OE2 3.42Å; R654-E659 PolarHBondContact NH2-OE2 3.44Å; R656-E659 HydrophobicContact CB-CB 4.2Å; R656-E659 HydrophobicContact CB-CG 4.34Å; R656-E659 IonicContact CZ-OE1 3.85Å; R656-E659 IonicContact NH1-OE1 3.81Å; R656-E659 PolarHBondContact NH1-OE1 3.43Å; R656-E659 PolarHBondContact O-N 2.85Å; E659-P661 WeakPolarHBondContact O-CD 3.39Å
660	Q	91.3	Very high	93.2	Very high	34 Å²	34	40.2 Å²	40.2	16%	0.159	21%	0.208	C	C	.	.			trans	-107.6	105.4	171.7	-176.6	173.3	4.8	0	0	108.9	P607 T608 V609 Y655 R656 S662	P607-Q660 PolarHBondContact O-NE2 3.29Å; T608-Q660 VanDerWaalsContact CA-OE1 3.25Å; V609-Q660 HydrophobicContact CG2-CB 3.83Å; Y655-Q660 VanDerWaalsContact CA-O 3.29Å; Y655-Q660 WeakPolarHBondContact CA-O 3.41Å; Y655-Q660 WeakPolarHBondContact CD1-O 3.47Å; R656-Q660 PolarHBondContact N-O 3.25Å; R656-Q660 CarbonylContact O-C 3.58Å; R656-Q660 VanDerWaalsContact O-C 3.28Å; Q660-S662 WeakPolarHBondContact CG-O 3.36Å
661	P	93.8	Very high	93.3	Very high	40 Å²	40	43.3 Å²	43.3	26%	0.26	23%	0.227	S	C	.	.			trans	-85.4	-20.8	-176.7	28.8	-34	0	0	0	114.1	R656 E659 P722 T723	R656-P661 VanDerWaalsContact O-CA 3.32Å; R656-P661 WeakPolarHBondContact O-CA 3.48Å; E659-P661 WeakPolarHBondContact O-CD 3.39Å; P661-P722 CarbonylContact O-C 3.56Å; P661-P722 VanDerWaalsContact O-CA 3.3Å; P661-P722 WeakPolarHBondContact O-CA 3.49Å; P661-T723 PolarHBondContact O-N 2.52Å
662	S	93.1	Very high	93.3	Very high	47 Å²	47	43.2 Å²	43.2	33%	0.329	23%	0.227	S	C	.	.			trans	-143.7	164.4	-170	59.4	0	0	0	0	111.8	Q660 G720	Q660-S662 WeakPolarHBondContact CG-O 3.36Å; S662-G720 WeakPolarHBondContact CA-O 3.28Å; S662-G720 WeakPolarHBondContact CB-O 3.36Å
663	L	92.3	Very high	93.3	Very high	19 Å²	19	43.3 Å²	43.3	10%	0.099	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	122	172.9	-167.3	58.8	0	0	0	110	V606 T608 Y655 H666 G720	V606-L663 HydrophobicContact CG1-CD1 3.67Å; V606-L663 HydrophobicContact CG1-CG 4.27Å; T608-L663 HydrophobicContact CG2-CD1 3.56Å; T608-L663 HydrophobicContact CG2-CD2 3.79Å; T608-L663 HydrophobicContact CG2-CG 4.27Å; Y655-L663 HydrophobicContact CE1-CB 4.17Å; L663-H666 WeakPolarHBondContact CD2-CE1 3.32Å; L663-G720 PolarHBondContact N-O 2.81Å; L663-G720 PolarHBondContact O-N 2.99Å
664	R	90.9	Very high	93.4	Very high	141 Å²	141	43.2 Å²	43.2	53%	0.532	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.3	157.1	-178.7	63.7	178.2	-178.7	160.3	0.2	111.9	N605 V606 H666	N605-R664 PolarHBondContact O-NH2 2.9Å; V606-R664 HydrophobicContact CG1-CG 4.22Å; R664-H666 PolarHBondContact O-N 3.08Å; R664-H666 PolarHBondContact O-ND1 3.17Å
665	P	92.4	Very high	93.5	Very high	41 Å²	41	43.2 Å²	43.2	27%	0.266	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.1	128.5	174.9	-27.4	32.9	0	0	0	113.4	L693 Y717 H718 E719	P665-L693 HydrophobicContact CB-CD1 4.24Å; P665-L693 HydrophobicContact CB-CD2 4.04Å; P665-L693 HydrophobicContact CG-CD1 4.4Å; P665-L693 HydrophobicContact CG-CD2 3.95Å; P665-Y717 VanDerWaalsContact C-CZ 3.49Å; P665-Y717 HydrophobicContact CB-CD1 4.04Å; P665-Y717 HydrophobicContact CB-CE1 3.31Å; P665-Y717 PolarHBondContact O-OH 3.49Å; P665-H718 CarbonylContact C-O 3.52Å; P665-H718 VanDerWaalsContact CA-O 3.25Å; P665-H718 WeakPolarHBondContact CA-O 3.46Å; P665-E719 HydrophobicContact CB-CB 4.47Å; P665-E719 HydrophobicContact CG-CB 3.98Å; P665-E719 WeakPolarHBondContact CG-OE2 3.18Å
666	H	91.1	Very high	93.6	Very high	17 Å²	17	42.8 Å²	42.8	8%	0.079	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	173.7	-178.7	63.3	-67.8	0	0	0	113	V606 L663 R664 D668 Y717 H718	V606-H666 HydrophobicContact CG1-CB 4.22Å; V606-H666 HydrophobicContact CG2-CB 3.82Å; L663-H666 WeakPolarHBondContact CD2-CE1 3.32Å; R664-H666 PolarHBondContact O-N 3.08Å; R664-H666 PolarHBondContact O-ND1 3.17Å; H666-D668 IonicContact CD2-OD1 3Å; H666-D668 PolarHBondContact CD2-OD1 3.39Å; H666-D668 IonicContact NE2-OD1 3.13Å; H666-D668 PolarHBondContact NE2-OD1 2.84Å; H666-Y717 VanDerWaalsContact C-CE2 3.42Å; H666-Y717 WeakPolarHBondContact O-CD2 3.29Å; H666-H718 AromaticContact CE1-NE2 3.51Å; H666-H718 PolarHBondContact N-O 3.39Å; H666-H718 PolarHBondContact ND1-O 2.98Å; H666-H718 AromaticContact NE2-CE1 3.86Å; H666-H718 AromaticContact NE2-NE2 3.49Å; H666-H718 PolarHBondContact NE2-NE2 3.01Å; H666-H718 PolarHBondContact O-N 3.25Å; H666-H718 VanDerWaalsContact O-N 3.13Å
667	H	89.6	Confident	93.8	Very high	79 Å²	79	40.7 Å²	40.7	37%	0.366	22%	0.22	S	C	.	.			trans	-111.3	150.9	164	-77.3	-61.3	0	0	0	109	Y717	H667-Y717 AromaticContact CD2-CD2 3.54Å; H667-Y717 AromaticContact CE1-CD2 3.81Å; H667-Y717 AromaticContact CG-CD2 3.88Å; H667-Y717 AromaticContact NE2-CD2 3.5Å
668	D	89.8	Confident	93.9	Very high	4 Å²	4	37.9 Å²	37.9	2%	0.021	20%	0.202	C	C	.	.			trans	-89	147.4	174.6	-59.9	-29.1	0	0	0	110.1	H666 S670 T673 H710 G712 R713 H718 F734	H666-D668 IonicContact CD2-OD1 3Å; H666-D668 PolarHBondContact CD2-OD1 3.39Å; H666-D668 IonicContact NE2-OD1 3.13Å; H666-D668 PolarHBondContact NE2-OD1 2.84Å; D668-S670 WeakPolarHBondContact CB-OG 3.48Å; D668-S670 PolarHBondContact O-N 3.36Å; D668-T673 VanDerWaalsContact CB-OG1 3.29Å; D668-T673 WeakPolarHBondContact CB-OG1 3.46Å; D668-T673 VanDerWaalsContact CG-OG1 3.28Å; D668-T673 VanDerWaalsContact OD2-CB 3.26Å; D668-T673 WeakPolarHBondContact OD2-CB 3.3Å; D668-T673 WeakPolarHBondContact OD2-CG2 3.31Å; D668-T673 PolarHBondContact OD2-OG1 3.02Å; D668-H710 IonicContact OD2-CE1 2.57Å; D668-G712 PolarHBondContact N-O 3.42Å; D668-G712 CarbonylContact O-C 3.49Å; D668-R713 WeakPolarHBondContact O-CG 3.25Å; D668-H718 IonicContact OD1-CE1 2.77Å; D668-H718 PolarHBondContact OD1-CE1 3.34Å; D668-H718 IonicContact OD1-NE2 3.5Å; D668-H718 IonicContact OD2-CE1 3.3Å; D668-H718 PolarHBondContact OD2-CE1 3.43Å; D668-H718 VanDerWaalsContact OD2-CE1 3.25Å; D668-H718 IonicContact OD2-NE2 3.63Å; D668-F734 HydrophobicContact CB-CD1 3.84Å; D668-F734 HydrophobicContact CB-CE1 3.57Å; D668-F734 HydrophobicContact CB-CE2 4.34Å; D668-F734 HydrophobicContact CB-CG 4.35Å; D668-F734 HydrophobicContact CB-CZ 3.84Å; D668-F734 WeakPolarHBondContact OD1-CE1 3.2Å; D668-F734 VanDerWaalsContact OD1-CZ 3.28Å; D668-F734 WeakPolarHBondContact OD1-CZ 3.37Å
669	S	90.1	Very high	94.2	Very high	69 Å²	69	32.1 Å²	32.1	48%	0.483	17%	0.171	S	C	.	.	S	Bend	trans	-83.5	59.4	172.1	-174	0	0	0	0	110.7	R713 P737	S669-R713 PolarHBondContact OG-NH2 3.42Å; S669-P737 WeakPolarHBondContact O-CA 3.35Å; S669-P737 WeakPolarHBondContact O-CB 3.37Å
670	S	92.8	Very high	94.5	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.165	C	C	.	.	S	Bend	trans	-140.8	160.3	-178.4	63.7	0	0	0	0	111.2	D668 F672 T673 G712 R713 V735	D668-S670 WeakPolarHBondContact CB-OG 3.48Å; D668-S670 PolarHBondContact O-N 3.36Å; S670-F672 VanDerWaalsContact CB-O 3.26Å; S670-F672 WeakPolarHBondContact CB-O 3.21Å; S670-F672 PolarHBondContact OG-O 2.88Å; S670-T673 PolarHBondContact OG-OG1 3Å; S670-G712 WeakPolarHBondContact OG-CA 3.44Å; S670-R713 WeakPolarHBondContact O-CG 3.37Å; S670-V735 WeakPolarHBondContact CB-O 3.23Å
671	T	96.1	Very high	94.7	Very high	64 Å²	64	32.5 Å²	32.5	39%	0.393	17%	0.171	S	C	.	.	S	Bend	trans	-71.7	-48.5	162.2	-62.4	0	0	0	0	109.1	Y641 P711 G712 V735 D736	Y641-T671 HydrophobicContact CE2-CG2 3.8Å; Y641-T671 VanDerWaalsContact OH-CG2 3.25Å; Y641-T671 WeakPolarHBondContact OH-CG2 3.21Å; T671-P711 WeakPolarHBondContact O-CA 3.35Å; T671-G712 PolarHBondContact O-N 3.48Å; T671-V735 PolarHBondContact N-O 3.06Å; T671-D736 VanDerWaalsContact CB-O 3.31Å; T671-D736 WeakPolarHBondContact CB-O 3.3Å; T671-D736 PolarHBondContact N-O 3.18Å; T671-D736 PolarHBondContact OG1-O 3.42Å
672	F	97.4	Very high	94.8	Very high	6 Å²	6	32.8 Å²	32.8	3%	0.026	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	151.7	170.6	72.3	-85	0	0	0	111	V630 T634 Y641 S670 L709 H710 V735	V630-F672 HydrophobicContact CG1-CE2 4.15Å; T634-F672 HydrophobicContact CG2-CD1 4.13Å; T634-F672 HydrophobicContact CG2-CD2 4.34Å; T634-F672 HydrophobicContact CG2-CE1 3.92Å; T634-F672 HydrophobicContact CG2-CE2 4.14Å; T634-F672 HydrophobicContact CG2-CG 4.33Å; T634-F672 HydrophobicContact CG2-CZ 3.9Å; T634-F672 WeakPolarHBondContact OG1-CE2 3.32Å; Y641-F672 AromaticContact CE1-CD1 3.86Å; Y641-F672 HydrophobicContact CE1-CD1 3.86Å; Y641-F672 AromaticContact CE1-CE1 3.82Å; Y641-F672 HydrophobicContact CE1-CE1 3.82Å; S670-F672 VanDerWaalsContact CB-O 3.26Å; S670-F672 WeakPolarHBondContact CB-O 3.21Å; S670-F672 PolarHBondContact OG-O 2.88Å; F672-L709 HydrophobicContact CD2-CD1 3.8Å; F672-L709 HydrophobicContact CD2-CG 4.04Å; F672-L709 HydrophobicContact CE2-CD1 3.79Å; F672-H710 CarbonylContact C-O 3.55Å; F672-H710 VanDerWaalsContact CA-O 3.28Å; F672-H710 WeakPolarHBondContact CA-O 3.37Å; F672-H710 WeakPolarHBondContact CB-O 3.36Å; F672-V735 HydrophobicContact CD1-CB 4.27Å; F672-V735 HydrophobicContact CD2-CB 4.26Å; F672-V735 HydrophobicContact CE1-CB 3.77Å; F672-V735 HydrophobicContact CE1-CG1 3.62Å; F672-V735 HydrophobicContact CE2-CB 3.77Å; F672-V735 HydrophobicContact CE2-CG1 4.11Å; F672-V735 HydrophobicContact CE2-CG2 3.93Å; F672-V735 HydrophobicContact CZ-CB 3.51Å; F672-V735 HydrophobicContact CZ-CG1 3.37Å; F672-V735 HydrophobicContact CZ-CG2 4.06Å; F672-V735 PolarHBondContact N-O 3.4Å; F672-V735 PolarHBondContact O-N 3.23Å
673	T	97.6	Very high	94.9	Very high	2 Å²	2	37.3 Å²	37.3	1%	0.012	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	134.9	179.4	-64.2	0	0	0	0	109.8	D668 S670 L709 H710 V732 S733 F734	D668-T673 VanDerWaalsContact CB-OG1 3.29Å; D668-T673 WeakPolarHBondContact CB-OG1 3.46Å; D668-T673 VanDerWaalsContact CG-OG1 3.28Å; D668-T673 VanDerWaalsContact OD2-CB 3.26Å; D668-T673 WeakPolarHBondContact OD2-CB 3.3Å; D668-T673 WeakPolarHBondContact OD2-CG2 3.31Å; D668-T673 PolarHBondContact OD2-OG1 3.02Å; S670-T673 PolarHBondContact OG-OG1 3Å; T673-L709 WeakPolarHBondContact O-CA 3.38Å; T673-H710 PolarHBondContact N-O 3.32Å; T673-H710 PolarHBondContact O-N 3.13Å; T673-V732 HydrophobicContact CG2-CG1 3.96Å; T673-S733 WeakPolarHBondContact CA-O 3.15Å; T673-F734 HydrophobicContact CG2-CD1 3.87Å; T673-F734 HydrophobicContact CG2-CE1 3.88Å
674	L	98.5	Very high	95.1	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	131.5	166.3	-174.7	77	0	0	0	108.7	F568 L570 W622 L626 V630 V676 A707 L708 L709 V732 S733	F568-L674 HydrophobicContact CZ-CD1 4.21Å; L570-L674 HydrophobicContact CD2-CD1 4.28Å; L570-L674 HydrophobicContact CD2-CD2 4.15Å; W622-L674 HydrophobicContact CZ2-CD2 4.15Å; L626-L674 HydrophobicContact CD2-CD2 3.62Å; V630-L674 HydrophobicContact CG1-CD1 3.94Å; V630-L674 HydrophobicContact CG1-CD2 4.32Å; V630-L674 HydrophobicContact CG2-CD1 4.2Å; V630-L674 HydrophobicContact CG2-CD2 3.79Å; L674-V676 HydrophobicContact CD2-CG2 3.98Å; L674-V676 HydrophobicContact CG-CG2 3.94Å; L674-A707 HydrophobicContact CD1-CB 3.68Å; L674-A707 HydrophobicContact CG-CB 4.48Å; L674-L708 WeakPolarHBondContact CA-O 3.36Å; L674-L709 HydrophobicContact CD1-CD1 4.12Å; L674-V732 WeakPolarHBondContact O-CA 3.33Å; L674-S733 PolarHBondContact N-O 3.45Å; L674-S733 PolarHBondContact O-N 3.33Å
675	N	98.2	Very high	95.5	Very high	18 Å²	18	33.3 Å²	33.3	10%	0.096	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	107.8	176.4	-176.6	-26.2	0	0	0	110.2	A707 L708 M731	N675-A707 CarbonylContact O-C 3.49Å; N675-A707 WeakPolarHBondContact O-CA 3.32Å; N675-L708 HydrophobicContact CB-CB 4.3Å; N675-L708 PolarHBondContact N-O 3.43Å; N675-L708 PolarHBondContact O-N 2.71Å; N675-M731 WeakPolarHBondContact CA-O 3.41Å
676	V	98.6	Very high	95.7	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	129.3	-174	-163.1	0	0	0	0	110.2	L570 L571 L674 A707 I730 M731	L570-V676 HydrophobicContact CD2-CG2 4.02Å; L571-V676 HydrophobicContact CD1-CG1 3.85Å; L571-V676 HydrophobicContact CG-CG1 4.11Å; L674-V676 HydrophobicContact CD2-CG2 3.98Å; L674-V676 HydrophobicContact CG-CG2 3.94Å; V676-A707 HydrophobicContact CB-CB 4.47Å; V676-A707 HydrophobicContact CG1-CB 4.39Å; V676-A707 HydrophobicContact CG2-CB 3.83Å; V676-I730 CarbonylContact O-C 3.56Å; V676-I730 WeakPolarHBondContact O-CA 3.39Å; V676-I730 WeakPolarHBondContact O-CB 3.22Å; V676-M731 HydrophobicContact CB-CB 4.27Å; V676-M731 PolarHBondContact N-O 2.72Å; V676-M731 PolarHBondContact O-N 2.92Å
677	A	98.3	Very high	95.8	Very high	6 Å²	6	35 Å²	35	5%	0.05	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	130.4	173	0	0	0	0	0	110.9	P702 R703 G705 W706	A677-P702 HydrophobicContact CB-CB 3.88Å; A677-R703 WeakPolarHBondContact CB-O 3.15Å; A677-G705 PolarHBondContact O-N 3.16Å; A677-W706 PolarHBondContact N-O 3.07Å
678	L	98.5	Very high	95.9	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	19%	0.186	C	C	.	.			trans	-103.9	-10.4	-176.5	-56.6	179	0	0	0	113.9	L571 C576 L579 V580 V652 K704 Y729 M731	L571-L678 HydrophobicContact CD1-CD2 4.17Å; C576-L678 HydrophobicContact CB-CB 4.35Å; C576-L678 HydrophobicContact CB-CD2 4.3Å; C576-L678 VanDerWaalsContact CB-O 3.31Å; C576-L678 WeakPolarHBondContact CB-O 3.42Å; L579-L678 HydrophobicContact CD2-CD1 4.11Å; L579-L678 HydrophobicContact CD2-CD2 4.2Å; V580-L678 HydrophobicContact CG2-CB 3.66Å; V580-L678 HydrophobicContact CG2-CD1 3.85Å; V580-L678 HydrophobicContact CG2-CG 4.4Å; V652-L678 HydrophobicContact CG1-CD1 3.92Å; V652-L678 HydrophobicContact CG2-CD1 3.99Å; L678-K704 WeakPolarHBondContact O-CE 3.44Å; L678-Y729 PolarHBondContact N-O 3.2Å; L678-Y729 VanDerWaalsContact N-O 3.1Å; L678-M731 HydrophobicContact CD1-CB 4.09Å; L678-M731 HydrophobicContact CD2-CB 4.07Å; L678-M731 HydrophobicContact CG-CB 4.28Å
679	N	97.9	Very high	96	Very high	11 Å²	11	31.3 Å²	31.3	6%	0.059	19%	0.185	C	C	.	.	S	Bend	trans	-146.4	170.9	177.4	69.7	-18.3	0	0	0	112.8	D684 Y685 T727 Y729	N679-D684 HydrophobicContact CB-CB 4.17Å; N679-D684 WeakPolarHBondContact CB-OD2 3.37Å; N679-D684 VanDerWaalsContact ND2-CB 3.33Å; N679-D684 WeakPolarHBondContact ND2-CB 3.48Å; N679-Y685 WeakPolarHBondContact OD1-CE1 3.26Å; N679-T727 PolarHBondContact ND2-O 3.13Å; N679-Y729 WeakPolarHBondContact ND2-CD2 3.31Å; N679-Y729 PolarHBondContact OD1-N 3.14Å; N679-Y729 VanDerWaalsContact OD1-N 3.14Å
680	H	97.3	Very high	96.3	Very high	53 Å²	53	28.2 Å²	28.2	25%	0.245	16%	0.164	C	C	.	.			trans	-85.8	126.7	-169.4	-64.5	-83.2	0	0	0	112.5	E573 G682 L683 D684 K704	E573-H680 IonicContact OE1-CE1 3.11Å; E573-H680 IonicContact OE1-NE2 2.59Å; E573-H680 IonicContact OE2-NE2 3.2Å; H680-G682 PolarHBondContact O-N 2.72Å; H680-L683 HydrophobicContact CB-CB 4.11Å; H680-L683 HydrophobicContact CB-CD1 4.3Å; H680-D684 WeakPolarHBondContact CA-OD2 3.13Å; H680-D684 WeakPolarHBondContact CB-OD2 3.49Å; H680-D684 IonicContact CD2-OD2 3.2Å; H680-D684 PolarHBondContact N-OD2 3.05Å; H680-D684 WeakPolarHBondContact O-CB 3.28Å; H680-D684 PolarHBondContact O-N 3.39Å; H680-K704 WeakPolarHBondContact NE2-CD 3.3Å
681	K	95.3	Very high	96.5	Very high	65 Å²	65	32.2 Å²	32.2	28%	0.283	18%	0.179	S	C	.	.	B	Isolated β-bridge	trans	-65.4	134.8	164.7	-170.5	176.8	-178.9	177.1	0	110	L683 Y685 G687 S700	K681-L683 VanDerWaalsContact C-N 3.34Å; K681-L683 PolarHBondContact O-N 3.18Å; K681-Y685 HydrophobicContact CB-CE1 4.2Å; K681-Y685 HydrophobicContact CB-CE2 4Å; K681-Y685 HydrophobicContact CD-CE2 4.37Å; K681-Y685 HydrophobicContact CG-CD2 4.41Å; K681-Y685 HydrophobicContact CG-CE2 3.86Å; K681-G687 WeakPolarHBondContact CE-O 3.46Å; K681-G687 PolarHBondContact NZ-O 3.36Å; K681-S700 WeakPolarHBondContact CD-O 3.48Å; K681-S700 PolarHBondContact NZ-O 3.09Å
682	G	95.1	Very high	96.6	Very high	46 Å²	46	29.2 Å²	29.2	47%	0.474	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	94.2	-38.3	179.7	0	0	0	0	0	113.6	H680 Y685	H680-G682 PolarHBondContact O-N 2.72Å; G682-Y685 PolarHBondContact N-O 3.31Å
683	L	95.7	Very high	96.5	Very high	143 Å²	143	31.8 Å²	31.8	75%	0.749	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-56	174.2	-73.5	73.4	0	0	0	110.8	H680 K681	H680-L683 HydrophobicContact CB-CB 4.11Å; H680-L683 HydrophobicContact CB-CD1 4.3Å; K681-L683 VanDerWaalsContact C-N 3.34Å; K681-L683 PolarHBondContact O-N 3.18Å
684	D	96.7	Very high	96.5	Very high	70 Å²	70	38.7 Å²	38.7	37%	0.374	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-27	-171.3	-53.1	-53.8	0	0	0	112.8	N679 H680 G726 T727	N679-D684 HydrophobicContact CB-CB 4.17Å; N679-D684 WeakPolarHBondContact CB-OD2 3.37Å; N679-D684 VanDerWaalsContact ND2-CB 3.33Å; N679-D684 WeakPolarHBondContact ND2-CB 3.48Å; H680-D684 WeakPolarHBondContact CA-OD2 3.13Å; H680-D684 WeakPolarHBondContact CB-OD2 3.49Å; H680-D684 IonicContact CD2-OD2 3.2Å; H680-D684 PolarHBondContact N-OD2 3.05Å; H680-D684 WeakPolarHBondContact O-CB 3.28Å; H680-D684 PolarHBondContact O-N 3.39Å; D684-G726 WeakPolarHBondContact O-CA 3.29Å; D684-T727 PolarHBondContact O-N 3.17Å; D684-T727 VanDerWaalsContact O-N 3.08Å
685	Y	97.8	Very high	96.3	Very high	5 Å²	5	42 Å²	42	2%	0.02	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	157.4	177.6	70	-85.5	0	0	0	114.2	N679 K681 G682 T723 R725 R728	N679-Y685 WeakPolarHBondContact OD1-CE1 3.26Å; K681-Y685 HydrophobicContact CB-CE1 4.2Å; K681-Y685 HydrophobicContact CB-CE2 4Å; K681-Y685 HydrophobicContact CD-CE2 4.37Å; K681-Y685 HydrophobicContact CG-CD2 4.41Å; K681-Y685 HydrophobicContact CG-CE2 3.86Å; G682-Y685 PolarHBondContact N-O 3.31Å; Y685-T723 HydrophobicContact CD2-CG2 4.4Å; Y685-R725 CarbonylContact C-O 3.53Å; Y685-R725 WeakPolarHBondContact CA-O 3.23Å; Y685-R725 WeakPolarHBondContact CB-O 3.18Å; Y685-R728 HydrophobicContact CD1-CB 3.84Å; Y685-R728 HydrophobicContact CD1-CG 4.15Å; Y685-R728 HydrophobicContact CD2-CB 3.82Å; Y685-R728 HydrophobicContact CD2-CG 4.13Å; Y685-R728 HydrophobicContact CE1-CB 4.09Å; Y685-R728 HydrophobicContact CE1-CG 3.86Å; Y685-R728 HydrophobicContact CE2-CB 4.08Å; Y685-R728 HydrophobicContact CE2-CG 3.85Å; Y685-R728 HydrophobicContact CG-CB 3.69Å; Y685-R728 HydrophobicContact CG-CG 4.28Å
686	E	96.6	Very high	96.2	Very high	71 Å²	71	46.3 Å²	46.3	33%	0.332	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	159	169.3	-64.7	-175.3	164.7	0	0	111.3	T724 R725	E686-T724 VanDerWaalsContact C-OG1 3.29Å; E686-T724 PolarHBondContact O-N 2.98Å; E686-T724 PolarHBondContact O-OG1 2.87Å; E686-R725 HydrophobicContact CB-CB 3.96Å; E686-R725 HydrophobicContact CG-CB 4.24Å; E686-R725 PolarHBondContact N-O 3.39Å; E686-R725 IonicContact OE1-CZ 3.16Å; E686-R725 IonicContact OE1-NE 2.99Å; E686-R725 IonicContact OE1-NH1 2.9Å; E686-R725 PolarHBondContact OE1-NH1 2.92Å; E686-R725 IonicContact OE1-NH2 2.75Å; E686-R725 PolarHBondContact OE1-NH2 2.66Å; E686-R725 IonicContact OE2-CZ 3.72Å; E686-R725 IonicContact OE2-NE 3.7Å; E686-R725 IonicContact OE2-NH1 3.68Å; E686-R725 PolarHBondContact OE2-NH1 3.47Å; E686-R725 IonicContact OE2-NH2 2.71Å
687	G	93.6	Very high	96.2	Very high	22 Å²	22	47.5 Å²	47.5	23%	0.227	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	73.9	-150.2	-172.9	0	0	0	0	0	111.9	K681 T724	K681-G687 WeakPolarHBondContact CE-O 3.46Å; K681-G687 PolarHBondContact NZ-O 3.36Å; G687-T724 PolarHBondContact N-OG1 2.9Å
688	G	91.8	Very high	96.1	Very high	6 Å²	6	50.1 Å²	50.1	6%	0.062	26%	0.259	C	S	.	.			trans	75.4	-171.7	178	0	0	0	0	0	114.5	L721 P722	G688-L721 WeakPolarHBondContact CA-O 3.48Å; G688-P722 PolarHBondContact N-O 2.58Å
689	G	92.9	Very high	96	Very high	1 Å²	1	50.5 Å²	50.5	1%	0.01	26%	0.261	C	S	.	.			trans	119.7	-169.9	-174.1	0	0	0	0	0	112.4	I699 L721 R728	G689-I699 WeakPolarHBondContact CA-O 3.49Å; G689-L721 PolarHBondContact O-N 2.8Å; G689-R728 PolarHBondContact O-NH1 3.24Å; G689-R728 PolarHBondContact O-NH2 2.55Å
690	C	96.4	Very high	95.7	Very high	4 Å²	4	53 Å²	53	3%	0.027	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	132.5	172.6	-172.4	0	0	0	0	108.6	I699 L708 E719	C690-I699 PolarHBondContact N-O 3.1Å; C690-I699 PolarHBondContact O-N 2.89Å; C690-L708 HydrophobicContact CB-CD1 4.5Å; C690-E719 WeakPolarHBondContact CA-O 3.25Å
691	R	97.3	Very high	95.5	Very high	84 Å²	84	53.9 Å²	53.9	32%	0.317	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	128.9	175.8	176.5	-178.2	-169.6	-165.2	3.4	110.1	D696 C697 V698 H718 E719 L721	R691-D696 IonicContact CZ-OD1 3.34Å; R691-D696 IonicContact NE-OD1 3.43Å; R691-D696 PolarHBondContact NE-OD1 3.05Å; R691-D696 IonicContact NH2-OD1 2.66Å; R691-D696 PolarHBondContact NH2-OD1 3.3Å; R691-C697 WeakPolarHBondContact CA-O 3.3Å; R691-V698 HydrophobicContact CB-CG2 4.05Å; R691-V698 HydrophobicContact CG-CG2 3.78Å; R691-H718 CarbonylContact O-C 3.46Å; R691-H718 WeakPolarHBondContact O-CA 3.46Å; R691-H718 VanDerWaalsContact O-CB 3.31Å; R691-H718 WeakPolarHBondContact O-CB 3.26Å; R691-E719 HydrophobicContact CB-CG 3.83Å; R691-E719 WeakPolarHBondContact CD-OE1 3.45Å; R691-E719 HydrophobicContact CG-CG 4.48Å; R691-E719 PolarHBondContact N-O 2.99Å; R691-E719 IonicContact NH1-OE1 2.73Å; R691-E719 PolarHBondContact NH1-OE1 2.88Å; R691-E719 PolarHBondContact O-N 2.94Å; R691-L721 HydrophobicContact CB-CD2 4.17Å; R691-L721 HydrophobicContact CB-CG 4.35Å
692	F	97.6	Very high	95.4	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	103.6	174	-63.7	-86.9	0	0	0	109.4	C562 V565 R694 Y695 D696 C697 I699 H710 H716 H718	C562-F692 HydrophobicContact CB-CD2 4.44Å; V565-F692 HydrophobicContact CB-CE2 4.37Å; V565-F692 HydrophobicContact CB-CZ 4.47Å; V565-F692 HydrophobicContact CG1-CE2 3.82Å; V565-F692 HydrophobicContact CG1-CZ 3.9Å; V565-F692 HydrophobicContact CG2-CD1 4.18Å; V565-F692 HydrophobicContact CG2-CD2 3.99Å; V565-F692 HydrophobicContact CG2-CE1 3.92Å; V565-F692 HydrophobicContact CG2-CE2 3.72Å; V565-F692 HydrophobicContact CG2-CG 4.22Å; V565-F692 HydrophobicContact CG2-CZ 3.68Å; F692-R694 PolarHBondContact O-N 3Å; F692-Y695 HydrophobicContact CB-CD2 3.87Å; F692-Y695 PolarHBondContact O-N 2.59Å; F692-Y695 VanDerWaalsContact O-N 3.13Å; F692-D696 PolarHBondContact O-N 2.81Å; F692-C697 PolarHBondContact N-O 3.39Å; F692-C697 PolarHBondContact O-N 3.1Å; F692-I699 HydrophobicContact CE2-CG1 4.2Å; F692-H710 HydrophobicContact CE1-CB 4.13Å; F692-H710 AromaticContact CE1-CD2 3.87Å; F692-H710 AromaticContact CE1-CG 3.67Å; F692-H710 AromaticContact CE1-ND1 3.78Å; F692-H710 HydrophobicContact CZ-CB 4.25Å; F692-H710 AromaticContact CZ-CD2 3.6Å; F692-H710 AromaticContact CZ-CG 3.81Å; F692-H710 AromaticContact CZ-NE2 3.96Å; F692-H716 HydrophobicContact CD1-CB 3.95Å; F692-H716 AromaticContact CD1-CD2 3.89Å; F692-H716 HydrophobicContact CE1-CB 4.13Å; F692-H718 HydrophobicContact CD1-CB 3.67Å; F692-H718 HydrophobicContact CE1-CB 3.91Å; F692-H718 HydrophobicContact CG-CB 4.3Å
693	L	95.9	Very high	95.5	Very high	61 Å²	61	52.5 Å²	52.5	32%	0.319	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-63	-39.6	-165.5	-75.3	79.7	0	0	0	112.5	P665 Y695 D696 Y717 E719	P665-L693 HydrophobicContact CB-CD1 4.24Å; P665-L693 HydrophobicContact CB-CD2 4.04Å; P665-L693 HydrophobicContact CG-CD1 4.4Å; P665-L693 HydrophobicContact CG-CD2 3.95Å; L693-Y695 PolarHBondContact O-N 2.95Å; L693-D696 PolarHBondContact O-N 3.48Å; L693-Y717 WeakPolarHBondContact CD1-O 3.5Å; L693-Y717 HydrophobicContact CD2-CD1 4.16Å; L693-Y717 HydrophobicContact CD2-CE1 4.39Å; L693-Y717 PolarHBondContact N-O 3.13Å; L693-E719 HydrophobicContact CD1-CB 4.1Å; L693-E719 HydrophobicContact CD1-CG 3.92Å
694	R	95.9	Very high	95.6	Very high	146 Å²	146	46.5 Å²	46.5	55%	0.551	24%	0.24	S	C	*	.	G	3₁₀ helix	trans	-62.4	-22.5	-179.7	-78.1	-172	62.3	-116.6	4.8	113.7	F692 T715	F692-R694 PolarHBondContact O-N 3Å; R694-T715 VanDerWaalsContact CD-O 3.32Å; R694-T715 WeakPolarHBondContact CD-O 3.41Å; R694-T715 VanDerWaalsContact NH1-CB 3.31Å; R694-T715 PolarHBondContact NH1-O 3.22Å
695	Y	95.4	Very high	95.7	Very high	69 Å²	69	43.2 Å²	43.2	27%	0.271	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-112	-1.6	-175.9	-50.2	-58.5	0	0	0	112.9	P563 F692 L693 C697 T715 H716	P563-Y695 HydrophobicContact CB-CD1 4.37Å; P563-Y695 HydrophobicContact CB-CE1 4.36Å; P563-Y695 HydrophobicContact CG-CD1 4.21Å; P563-Y695 HydrophobicContact CG-CG 4.28Å; F692-Y695 HydrophobicContact CB-CD2 3.87Å; F692-Y695 PolarHBondContact O-N 2.59Å; F692-Y695 VanDerWaalsContact O-N 3.13Å; L693-Y695 PolarHBondContact O-N 2.95Å; Y695-C697 PolarHBondContact O-N 2.75Å; Y695-T715 PolarHBondContact OH-O 3Å; Y695-H716 AromaticContact CE2-CD2 3.68Å; Y695-H716 AromaticContact CE2-NE2 3.57Å; Y695-H716 PolarHBondContact OH-CE1 2.94Å
696	D	96.3	Very high	95.7	Very high	110 Å²	110	44.7 Å²	44.7	59%	0.588	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	43.1	36.9	-166.8	-160.6	30.7	0	0	0	113.1	R691 F692 L693	R691-D696 IonicContact CZ-OD1 3.34Å; R691-D696 IonicContact NE-OD1 3.43Å; R691-D696 PolarHBondContact NE-OD1 3.05Å; R691-D696 IonicContact NH2-OD1 2.66Å; R691-D696 PolarHBondContact NH2-OD1 3.3Å; F692-D696 PolarHBondContact O-N 2.81Å; L693-D696 PolarHBondContact O-N 3.48Å
697	C	97.6	Very high	95.8	Very high	25 Å²	25	41.3 Å²	41.3	17%	0.169	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	133.4	-174.5	-173.4	0	0	0	0	110	P561 C562 R691 F692 Y695	P561-C697 PolarHBondContact O-SG 3.36Å; C562-C697 WeakPolarHBondContact CA-SG 3.39Å; C562-C697 HydrophobicContact CB-CB 3.68Å; C562-C697 WeakPolarHBondContact CB-SG 3.47Å; C562-C697 WeakPolarHBondContact SG-CB 3.22Å; C562-C697 CovalentContact SG-SG 2.02Å; C562-C697 PolarHBondContact SG-SG 2.99Å; R691-C697 WeakPolarHBondContact CA-O 3.3Å; F692-C697 PolarHBondContact N-O 3.39Å; F692-C697 PolarHBondContact O-N 3.1Å; Y695-C697 PolarHBondContact O-N 2.75Å
698	V	97.1	Very high	96	Very high	61 Å²	61	40.7 Å²	40.7	37%	0.37	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	122.6	-172.7	-177.5	0	0	0	0	110.2	R691 S700 L721	R691-V698 HydrophobicContact CB-CG2 4.05Å; R691-V698 HydrophobicContact CG-CG2 3.78Å; V698-S700 PolarHBondContact O-N 3.03Å; V698-L721 HydrophobicContact CG1-CD1 3.59Å
699	I	96.7	Very high	96.4	Very high	7 Å²	7	40.4 Å²	40.4	4%	0.036	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	88.5	165.3	-47.3	-55	0	0	0	107.6	P561 C562 G689 C690 F692 L708	P561-I699 HydrophobicContact CB-CD1 3.46Å; P561-I699 VanDerWaalsContact CB-CD1 3.46Å; P561-I699 HydrophobicContact CG-CD1 3.42Å; P561-I699 VanDerWaalsContact CG-CD1 3.42Å; C562-I699 VanDerWaalsContact SG-CD1 3.56Å; G689-I699 WeakPolarHBondContact CA-O 3.49Å; C690-I699 PolarHBondContact N-O 3.1Å; C690-I699 PolarHBondContact O-N 2.89Å; F692-I699 HydrophobicContact CE2-CG1 4.2Å; I699-L708 HydrophobicContact CB-CD1 4.32Å; I699-L708 HydrophobicContact CG1-CD1 4.11Å; I699-L708 HydrophobicContact CG1-CD2 4.18Å; I699-L708 HydrophobicContact CG2-CD1 4.17Å; I699-L708 HydrophobicContact CG2-CD2 4.27Å
700	S	91.4	Very high	96.6	Very high	63 Å²	63	40.3 Å²	40.3	44%	0.441	20%	0.2	S	C	.	.			trans	-79.9	-34.2	-173.2	59.1	0	0	0	0	112.5	K681 V698 P702	K681-S700 WeakPolarHBondContact CD-O 3.48Å; K681-S700 PolarHBondContact NZ-O 3.09Å; V698-S700 PolarHBondContact O-N 3.03Å; S700-P702 WeakPolarHBondContact O-CD 3.4Å
701	S	92.9	Very high	96.7	Very high	72 Å²	72	41.5 Å²	41.5	50%	0.503	21%	0.208	S	C	.	.	S	Bend	trans	-123.7	76.5	-174	-62.8	0	0	0	0	112.8	W567	W567-S701 VanDerWaalsContact CH2-O 3.29Å; W567-S701 WeakPolarHBondContact CH2-O 3.49Å
702	P	92.7	Very high	96.3	Very high	15 Å²	15	37.5 Å²	37.5	10%	0.097	19%	0.193	C	C	.	.			trans	-57.2	147.4	173.9	-22.1	33.3	0	0	0	112.4	A677 S700	A677-P702 HydrophobicContact CB-CB 3.88Å; S700-P702 WeakPolarHBondContact O-CD 3.4Å
703	R	97.5	Very high	95.9	Very high	68 Å²	68	42.9 Å²	42.9	26%	0.257	21%	0.213	S	C	.	.			trans	-108.6	126.7	-177.9	-71.8	176.6	-84.8	-161.9	-11.4	107.4	E559 W567 A677 G705 W706	E559-R703 IonicContact OE1-CZ 3.47Å; E559-R703 VanDerWaalsContact OE1-CZ 3.29Å; E559-R703 IonicContact OE1-NH1 2.72Å; E559-R703 PolarHBondContact OE1-NH1 2.87Å; E559-R703 IonicContact OE1-NH2 3.36Å; E559-R703 PolarHBondContact OE1-NH2 2.9Å; E559-R703 IonicContact OE2-CZ 3.02Å; E559-R703 IonicContact OE2-NH1 3Å; E559-R703 IonicContact OE2-NH2 3.68Å; E559-R703 PolarHBondContact OE2-NH2 3.47Å; W567-R703 VanDerWaalsContact CD2-NH2 3.28Å; W567-R703 HydrophobicContact CH2-CB 4.47Å; W567-R703 HydrophobicContact CH2-CG 3.84Å; W567-R703 HydrophobicContact CZ2-CB 3.78Å; W567-R703 HydrophobicContact CZ2-CG 3.66Å; A677-R703 WeakPolarHBondContact CB-O 3.15Å; R703-G705 PolarHBondContact O-N 3.24Å; R703-W706 HydrophobicContact CB-CB 3.94Å; R703-W706 HydrophobicContact CB-CD2 4.3Å; R703-W706 HydrophobicContact CB-CG 3.67Å; R703-W706 VanDerWaalsContact CZ-CE3 3.41Å; R703-W706 VanDerWaalsContact NH1-CZ3 3.34Å; R703-W706 WeakPolarHBondContact O-CB 3.44Å; R703-W706 PolarHBondContact O-N 2.87Å
704	K	98.1	Very high	95.5	Very high	17 Å²	17	47 Å²	47	7%	0.074	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.8	137.2	176.4	-175.1	178.9	176.6	-172.9	0	109.8	E573 C576 D577 L678 H680 W706	E573-K704 HydrophobicContact CB-CD 4.39Å; E573-K704 HydrophobicContact CG-CD 4.08Å; C576-K704 HydrophobicContact CB-CD 4.4Å; C576-K704 HydrophobicContact CB-CG 4.08Å; D577-K704 WeakPolarHBondContact OD1-CE 3.31Å; D577-K704 IonicContact OD1-NZ 3.49Å; D577-K704 PolarHBondContact OD1-NZ 3.48Å; D577-K704 IonicContact OD2-NZ 3.4Å; D577-K704 PolarHBondContact OD2-NZ 3.33Å; L678-K704 WeakPolarHBondContact O-CE 3.44Å; H680-K704 WeakPolarHBondContact NE2-CD 3.3Å; K704-W706 PolarHBondContact O-N 3.21Å; K704-W706 VanDerWaalsContact O-N 3.17Å
705	G	97.9	Very high	95.3	Very high	1 Å²	1	42 Å²	42	1%	0.01	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.7	-7.4	-178.7	0	0	0	0	0	115.3	L570 L571 A677 R703	L570-G705 PolarHBondContact N-O 2.95Å; L571-G705 PolarHBondContact N-O 2.9Å; L571-G705 VanDerWaalsContact O-CA 3.22Å; L571-G705 WeakPolarHBondContact O-CA 3.45Å; A677-G705 PolarHBondContact O-N 3.16Å; R703-G705 PolarHBondContact O-N 3.24Å
706	W	98.6	Very high	95.3	Very high	35 Å²	35	38.8 Å²	38.8	13%	0.133	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	144	174.8	-70.2	52.8	0	0	0	111.6	H545 I557 W567 F568 P569 A677 R703 K704	H545-W706 AromaticContact NE2-NE1 3.86Å; I557-W706 HydrophobicContact CG2-CH2 4.17Å; W567-W706 AromaticContact CD1-CE3 3.93Å; W567-W706 HydrophobicContact CD2-CE3 4.3Å; W567-W706 HydrophobicContact CG-CE3 4.09Å; F568-W706 VanDerWaalsContact C-CE3 3.5Å; F568-W706 CarbonylContact O-C 3.59Å; F568-W706 WeakPolarHBondContact O-CA 3.4Å; P569-W706 HydrophobicContact CB-CD2 4.24Å; P569-W706 HydrophobicContact CB-CG 4.5Å; P569-W706 HydrophobicContact CB-CZ2 4.19Å; P569-W706 HydrophobicContact CG-CH2 4.46Å; P569-W706 HydrophobicContact CG-CZ2 4.25Å; A677-W706 PolarHBondContact N-O 3.07Å; R703-W706 HydrophobicContact CB-CB 3.94Å; R703-W706 HydrophobicContact CB-CD2 4.3Å; R703-W706 HydrophobicContact CB-CG 3.67Å; R703-W706 VanDerWaalsContact CZ-CE3 3.41Å; R703-W706 VanDerWaalsContact NH1-CZ3 3.34Å; R703-W706 WeakPolarHBondContact O-CB 3.44Å; R703-W706 PolarHBondContact O-N 2.87Å; K704-W706 PolarHBondContact O-N 3.21Å; K704-W706 VanDerWaalsContact O-N 3.17Å
707	A	98.6	Very high	95.2	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	126.2	-177	0	0	0	0	0	111.6	W567 F568 L570 L674 N675 V676	W567-A707 WeakPolarHBondContact CA-O 3.48Å; F568-A707 HydrophobicContact CE1-CB 4.3Å; F568-A707 HydrophobicContact CE2-CB 4.13Å; F568-A707 HydrophobicContact CZ-CB 3.95Å; F568-A707 PolarHBondContact N-O 3.06Å; F568-A707 VanDerWaalsContact N-O 3.14Å; F568-A707 PolarHBondContact O-N 3.19Å; L570-A707 HydrophobicContact CB-CB 3.94Å; L570-A707 HydrophobicContact CD2-CB 3.8Å; L674-A707 HydrophobicContact CD1-CB 3.68Å; L674-A707 HydrophobicContact CG-CB 4.48Å; N675-A707 CarbonylContact O-C 3.49Å; N675-A707 WeakPolarHBondContact O-CA 3.32Å; V676-A707 HydrophobicContact CB-CB 4.47Å; V676-A707 HydrophobicContact CG1-CB 4.39Å; V676-A707 HydrophobicContact CG2-CB 3.83Å
708	L	98.4	Very high	95.1	Very high	9 Å²	9	37.2 Å²	37.2	5%	0.047	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	142.2	163.1	-65.6	173.6	0	0	0	109.5	V565 Y566 W567 L674 N675 C690 I699	V565-L708 HydrophobicContact CG1-CD2 4.14Å; Y566-L708 CarbonylContact O-C 3.58Å; Y566-L708 WeakPolarHBondContact O-CA 3.36Å; W567-L708 HydrophobicContact CB-CD2 3.91Å; W567-L708 HydrophobicContact CD2-CD2 4.02Å; W567-L708 HydrophobicContact CG-CD2 3.6Å; L674-L708 WeakPolarHBondContact CA-O 3.36Å; N675-L708 HydrophobicContact CB-CB 4.3Å; N675-L708 PolarHBondContact N-O 3.43Å; N675-L708 PolarHBondContact O-N 2.71Å; C690-L708 HydrophobicContact CB-CD1 4.5Å; I699-L708 HydrophobicContact CB-CD1 4.32Å; I699-L708 HydrophobicContact CG1-CD1 4.11Å; I699-L708 HydrophobicContact CG1-CD2 4.18Å; I699-L708 HydrophobicContact CG2-CD1 4.17Å; I699-L708 HydrophobicContact CG2-CD2 4.27Å
709	L	98.6	Very high	94.9	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	116.3	178.8	-171.5	126.5	0	0	0	109.8	Y566 F568 V630 T634 L637 F638 F672 T673 L674	Y566-L709 PolarHBondContact N-O 2.88Å; Y566-L709 PolarHBondContact O-N 3.17Å; F568-L709 HydrophobicContact CE1-CB 3.88Å; F568-L709 HydrophobicContact CE1-CD1 4.11Å; F568-L709 HydrophobicContact CZ-CD1 4.39Å; V630-L709 HydrophobicContact CG1-CD1 4.07Å; T634-L709 HydrophobicContact CG2-CD2 4.35Å; T634-L709 WeakPolarHBondContact OG1-CD1 3.22Å; L637-L709 HydrophobicContact CD1-CD2 4.48Å; F638-L709 HydrophobicContact CD2-CD2 4.09Å; F638-L709 HydrophobicContact CE2-CD2 3.49Å; F638-L709 VanDerWaalsContact CE2-CD2 3.49Å; F672-L709 HydrophobicContact CD2-CD1 3.8Å; F672-L709 HydrophobicContact CD2-CG 4.04Å; F672-L709 HydrophobicContact CE2-CD1 3.79Å; T673-L709 WeakPolarHBondContact O-CA 3.38Å; L674-L709 HydrophobicContact CD1-CD1 4.12Å
710	H	98.3	Very high	94.9	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	156.4	-175	60.9	85.1	0	0	0	111.7	V565 D668 F672 T673 F692 H718	V565-H710 HydrophobicContact CB-CB 4.36Å; V565-H710 HydrophobicContact CG1-CB 4.29Å; V565-H710 HydrophobicContact CG2-CB 3.89Å; D668-H710 IonicContact OD2-CE1 2.57Å; F672-H710 CarbonylContact C-O 3.55Å; F672-H710 VanDerWaalsContact CA-O 3.28Å; F672-H710 WeakPolarHBondContact CA-O 3.37Å; F672-H710 WeakPolarHBondContact CB-O 3.36Å; T673-H710 PolarHBondContact N-O 3.32Å; T673-H710 PolarHBondContact O-N 3.13Å; F692-H710 HydrophobicContact CE1-CB 4.13Å; F692-H710 AromaticContact CE1-CD2 3.87Å; F692-H710 AromaticContact CE1-CG 3.67Å; F692-H710 AromaticContact CE1-ND1 3.78Å; F692-H710 HydrophobicContact CZ-CB 4.25Å; F692-H710 AromaticContact CZ-CD2 3.6Å; F692-H710 AromaticContact CZ-CG 3.81Å; F692-H710 AromaticContact CZ-NE2 3.96Å; H710-H718 AromaticContact CE1-CE1 3.92Å
711	P	97.6	Very high	95.1	Very high	28 Å²	28	35.2 Å²	35.2	18%	0.182	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.7	142	170.6	-25	33.9	0	0	0	112.3	D564 T671 H716	D564-P711 VanDerWaalsContact O-CD 3.31Å; D564-P711 WeakPolarHBondContact O-CD 3.49Å; T671-P711 WeakPolarHBondContact O-CA 3.35Å; P711-H716 VanDerWaalsContact CD-CE1 3.46Å; P711-H716 WeakPolarHBondContact CD-CE1 3.32Å; P711-H716 VanDerWaalsContact CG-CE1 3.49Å; P711-H716 WeakPolarHBondContact CG-CE1 3.31Å; P711-H716 VanDerWaalsContact O-CB 3.25Å; P711-H716 WeakPolarHBondContact O-CB 3.25Å
712	G	90.2	Very high	95.2	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.172	C	C	.	.			trans	-89.2	-32.6	-178.3	0	0	0	0	0	114.5	D668 S670 T671	D668-G712 PolarHBondContact N-O 3.42Å; D668-G712 CarbonylContact O-C 3.49Å; S670-G712 WeakPolarHBondContact OG-CA 3.44Å; T671-G712 PolarHBondContact O-N 3.48Å
713	R	88.6	Confident	95.5	Very high	114 Å²	114	34.4 Å²	34.4	43%	0.43	17%	0.168	S	C	.	.	S	Bend	trans	-110.6	159.5	-174.2	-72.4	174.3	175.8	155.3	4.3	112.8	D668 S669 S670 T715 P737	D668-R713 WeakPolarHBondContact O-CG 3.25Å; S669-R713 PolarHBondContact OG-NH2 3.42Å; S670-R713 WeakPolarHBondContact O-CG 3.37Å; R713-T715 PolarHBondContact O-N 2.95Å; R713-P737 PolarHBondContact NH1-OXT 2.76Å; R713-P737 PolarHBondContact NH2-OXT 2.94Å
714	L	87.9	Confident	95.4	Very high	146 Å²	146	35.5 Å²	35.5	76%	0.764	18%	0.182	S	C	*	.	S	Bend	trans	64.7	-57.9	171.6	-173.3	66.9	0	0	0	115.8
715	T	91.3	Very high	95.3	Very high	42 Å²	42	41.5 Å²	41.5	26%	0.258	20%	0.204	S	C	.	.	S	Bend	trans	-104	-23	-163.4	49.7	0	0	0	0	114.7	R694 Y695 R713	R694-T715 VanDerWaalsContact CD-O 3.32Å; R694-T715 WeakPolarHBondContact CD-O 3.41Å; R694-T715 VanDerWaalsContact NH1-CB 3.31Å; R694-T715 PolarHBondContact NH1-O 3.22Å; Y695-T715 PolarHBondContact OH-O 3Å; R713-T715 PolarHBondContact O-N 2.95Å
716	H	95.2	Very high	95.3	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.005	22%	0.221	C	C	.	.			trans	-115.3	57.5	-172.5	-66.8	71.1	0	0	0	111.1	P563 F692 Y695 P711 H718	P563-H716 PolarHBondContact O-NE2 3.48Å; P563-H716 VanDerWaalsContact O-NE2 3.17Å; F692-H716 HydrophobicContact CD1-CB 3.95Å; F692-H716 AromaticContact CD1-CD2 3.89Å; F692-H716 HydrophobicContact CE1-CB 4.13Å; Y695-H716 AromaticContact CE2-CD2 3.68Å; Y695-H716 AromaticContact CE2-NE2 3.57Å; Y695-H716 PolarHBondContact OH-CE1 2.94Å; P711-H716 VanDerWaalsContact CD-CE1 3.46Å; P711-H716 WeakPolarHBondContact CD-CE1 3.32Å; P711-H716 VanDerWaalsContact CG-CE1 3.49Å; P711-H716 WeakPolarHBondContact CG-CE1 3.31Å; P711-H716 VanDerWaalsContact O-CB 3.25Å; P711-H716 WeakPolarHBondContact O-CB 3.25Å; H716-H718 PolarHBondContact O-N 3.37Å; H716-H718 PolarHBondContact O-ND1 2.65Å
717	Y	94.4	Very high	95.2	Very high	91 Å²	91	42.8 Å²	42.8	36%	0.357	22%	0.223	S	C	.	.			trans	-64.2	117.4	170.4	-163	-119.7	0	0	0	108.5	P665 H666 H667 L693	P665-Y717 VanDerWaalsContact C-CZ 3.49Å; P665-Y717 HydrophobicContact CB-CD1 4.04Å; P665-Y717 HydrophobicContact CB-CE1 3.31Å; P665-Y717 PolarHBondContact O-OH 3.49Å; H666-Y717 VanDerWaalsContact C-CE2 3.42Å; H666-Y717 WeakPolarHBondContact O-CD2 3.29Å; H667-Y717 AromaticContact CD2-CD2 3.54Å; H667-Y717 AromaticContact CE1-CD2 3.81Å; H667-Y717 AromaticContact CG-CD2 3.88Å; H667-Y717 AromaticContact NE2-CD2 3.5Å; L693-Y717 WeakPolarHBondContact CD1-O 3.5Å; L693-Y717 HydrophobicContact CD2-CD1 4.16Å; L693-Y717 HydrophobicContact CD2-CE1 4.39Å; L693-Y717 PolarHBondContact N-O 3.13Å
718	H	95.1	Very high	95.2	Very high	11 Å²	11	43 Å²	43	5%	0.051	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	159.5	-166.2	69.4	-82.8	0	0	0	112.4	P665 H666 D668 R691 F692 H710 H716	P665-H718 CarbonylContact C-O 3.52Å; P665-H718 VanDerWaalsContact CA-O 3.25Å; P665-H718 WeakPolarHBondContact CA-O 3.46Å; H666-H718 AromaticContact CE1-NE2 3.51Å; H666-H718 PolarHBondContact N-O 3.39Å; H666-H718 PolarHBondContact ND1-O 2.98Å; H666-H718 AromaticContact NE2-CE1 3.86Å; H666-H718 AromaticContact NE2-NE2 3.49Å; H666-H718 PolarHBondContact NE2-NE2 3.01Å; H666-H718 PolarHBondContact O-N 3.25Å; H666-H718 VanDerWaalsContact O-N 3.13Å; D668-H718 IonicContact OD1-CE1 2.77Å; D668-H718 PolarHBondContact OD1-CE1 3.34Å; D668-H718 IonicContact OD1-NE2 3.5Å; D668-H718 IonicContact OD2-CE1 3.3Å; D668-H718 PolarHBondContact OD2-CE1 3.43Å; D668-H718 VanDerWaalsContact OD2-CE1 3.25Å; D668-H718 IonicContact OD2-NE2 3.63Å; R691-H718 CarbonylContact O-C 3.46Å; R691-H718 WeakPolarHBondContact O-CA 3.46Å; R691-H718 VanDerWaalsContact O-CB 3.31Å; R691-H718 WeakPolarHBondContact O-CB 3.26Å; F692-H718 HydrophobicContact CD1-CB 3.67Å; F692-H718 HydrophobicContact CE1-CB 3.91Å; F692-H718 HydrophobicContact CG-CB 4.3Å; H710-H718 AromaticContact CE1-CE1 3.92Å; H716-H718 PolarHBondContact O-N 3.37Å; H716-H718 PolarHBondContact O-ND1 2.65Å
719	E	93.9	Very high	95.2	Very high	40 Å²	40	43.6 Å²	43.6	19%	0.187	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	146.5	178.3	66.2	-178.8	-176.4	0	0	111.9	P665 C690 R691 L693 L721	P665-E719 HydrophobicContact CB-CB 4.47Å; P665-E719 HydrophobicContact CG-CB 3.98Å; P665-E719 WeakPolarHBondContact CG-OE2 3.18Å; C690-E719 WeakPolarHBondContact CA-O 3.25Å; R691-E719 HydrophobicContact CB-CG 3.83Å; R691-E719 WeakPolarHBondContact CD-OE1 3.45Å; R691-E719 HydrophobicContact CG-CG 4.48Å; R691-E719 PolarHBondContact N-O 2.99Å; R691-E719 IonicContact NH1-OE1 2.73Å; R691-E719 PolarHBondContact NH1-OE1 2.88Å; R691-E719 PolarHBondContact O-N 2.94Å; L693-E719 HydrophobicContact CD1-CB 4.1Å; L693-E719 HydrophobicContact CD1-CG 3.92Å; E719-L721 HydrophobicContact CG-CD2 4.35Å
720	G	95.1	Very high	95.2	Very high	10 Å²	10	43.9 Å²	43.9	10%	0.103	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	110.8	170.5	0	0	0	0	0	109.5	S662 L663	S662-G720 WeakPolarHBondContact CA-O 3.28Å; S662-G720 WeakPolarHBondContact CB-O 3.36Å; L663-G720 PolarHBondContact N-O 2.81Å; L663-G720 PolarHBondContact O-N 2.99Å
721	L	96	Very high	95.2	Very high	39 Å²	39	43.9 Å²	43.9	20%	0.204	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-64.1	149	-178.6	-66.6	-179.8	0	0	0	111.4	G688 G689 R691 V698 E719 T723	G688-L721 WeakPolarHBondContact CA-O 3.48Å; G689-L721 PolarHBondContact O-N 2.8Å; R691-L721 HydrophobicContact CB-CD2 4.17Å; R691-L721 HydrophobicContact CB-CG 4.35Å; V698-L721 HydrophobicContact CG1-CD1 3.59Å; E719-L721 HydrophobicContact CG-CD2 4.35Å; L721-T723 PolarHBondContact O-N 2.88Å
722	P	96.1	Very high	95.2	Very high	69 Å²	69	43 Å²	43	45%	0.448	22%	0.221	S	C	.	.	P	Polyproline II helix	trans	-62.1	127.1	-177.1	-21.5	31.5	0	0	0	113.6	P661 G688	P661-P722 CarbonylContact O-C 3.56Å; P661-P722 VanDerWaalsContact O-CA 3.3Å; P661-P722 WeakPolarHBondContact O-CA 3.49Å; G688-P722 PolarHBondContact N-O 2.58Å
723	T	97.4	Very high	95.5	Very high	2 Å²	2	43 Å²	43	1%	0.012	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	122.6	162.9	-58	0	0	0	0	108.6	Y655 P661 Y685 L721 R728	Y655-T723 WeakPolarHBondContact CB-OG1 3.44Å; P661-T723 PolarHBondContact O-N 2.52Å; Y685-T723 HydrophobicContact CD2-CG2 4.4Å; L721-T723 PolarHBondContact O-N 2.88Å; T723-R728 HydrophobicContact CG2-CB 4.25Å
724	T	96.1	Very high	95.9	Very high	91 Å²	91	39 Å²	39	56%	0.558	21%	0.206	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-100.4	-22.9	-172.3	55.4	0	0	0	0	113.6	P657 E686 G687	P657-T724 WeakPolarHBondContact CG-O 3.49Å; E686-T724 VanDerWaalsContact C-OG1 3.29Å; E686-T724 PolarHBondContact O-N 2.98Å; E686-T724 PolarHBondContact O-OG1 2.87Å; G687-T724 PolarHBondContact N-OG1 2.9Å
725	R	96.8	Very high	96.3	Very high	143 Å²	143	32 Å²	32	54%	0.54	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	152.1	175.4	-160.8	173.1	78.3	-141.9	-1.2	110.2	Y685 E686	Y685-R725 CarbonylContact C-O 3.53Å; Y685-R725 WeakPolarHBondContact CA-O 3.23Å; Y685-R725 WeakPolarHBondContact CB-O 3.18Å; E686-R725 HydrophobicContact CB-CB 3.96Å; E686-R725 HydrophobicContact CG-CB 4.24Å; E686-R725 PolarHBondContact N-O 3.39Å; E686-R725 IonicContact OE1-CZ 3.16Å; E686-R725 IonicContact OE1-NE 2.99Å; E686-R725 IonicContact OE1-NH1 2.9Å; E686-R725 PolarHBondContact OE1-NH1 2.92Å; E686-R725 IonicContact OE1-NH2 2.75Å; E686-R725 PolarHBondContact OE1-NH2 2.66Å; E686-R725 IonicContact OE2-CZ 3.72Å; E686-R725 IonicContact OE2-NE 3.7Å; E686-R725 IonicContact OE2-NH1 3.68Å; E686-R725 PolarHBondContact OE2-NH1 3.47Å; E686-R725 IonicContact OE2-NH2 2.71Å
726	G	97.1	Very high	96.4	Very high	35 Å²	35	31.3 Å²	31.3	36%	0.361	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	72.4	-157.4	175.8	0	0	0	0	0	113	P657 D684	P657-G726 WeakPolarHBondContact CD-O 3.28Å; D684-G726 WeakPolarHBondContact O-CA 3.29Å
727	T	97.8	Very high	96	Very high	27 Å²	27	35.3 Å²	35.3	17%	0.166	19%	0.191	C	C	.	.			trans	-127.7	128.4	-179	-54.6	0	0	0	0	110.5	R654 R656 N679 D684 Y729	R654-T727 HydrophobicContact CG-CG2 3.49Å; R654-T727 VanDerWaalsContact CG-CG2 3.49Å; R656-T727 HydrophobicContact CG-CG2 3.68Å; R656-T727 WeakPolarHBondContact CG-OG1 3.42Å; R656-T727 PolarHBondContact NE-OG1 3Å; N679-T727 PolarHBondContact ND2-O 3.13Å; D684-T727 PolarHBondContact O-N 3.17Å; D684-T727 VanDerWaalsContact O-N 3.08Å; T727-Y729 HydrophobicContact CG2-CD1 4.48Å; T727-Y729 HydrophobicContact CG2-CD2 4.23Å; T727-Y729 HydrophobicContact CG2-CE1 3.87Å; T727-Y729 HydrophobicContact CG2-CE2 3.57Å; T727-Y729 WeakPolarHBondContact CG2-OH 3.11Å
728	R	98.1	Very high	96.1	Very high	6 Å²	6	32.5 Å²	32.5	2%	0.023	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	126.3	176	175.7	-175.1	177.4	-156.4	-0.1	109.9	Y655 Y685 G689 T723 I730	Y655-R728 HydrophobicContact CD2-CG 4.44Å; Y655-R728 PolarHBondContact N-O 3.13Å; Y655-R728 PolarHBondContact O-N 2.84Å; Y685-R728 HydrophobicContact CD1-CB 3.84Å; Y685-R728 HydrophobicContact CD1-CG 4.15Å; Y685-R728 HydrophobicContact CD2-CB 3.82Å; Y685-R728 HydrophobicContact CD2-CG 4.13Å; Y685-R728 HydrophobicContact CE1-CB 4.09Å; Y685-R728 HydrophobicContact CE1-CG 3.86Å; Y685-R728 HydrophobicContact CE2-CB 4.08Å; Y685-R728 HydrophobicContact CE2-CG 3.85Å; Y685-R728 HydrophobicContact CG-CB 3.69Å; Y685-R728 HydrophobicContact CG-CG 4.28Å; G689-R728 PolarHBondContact O-NH1 3.24Å; G689-R728 PolarHBondContact O-NH2 2.55Å; T723-R728 HydrophobicContact CG2-CB 4.25Å; R728-I730 HydrophobicContact CG-CG2 4.47Å
729	Y	98.4	Very high	96.2	Very high	21 Å²	21	33.6 Å²	33.6	8%	0.082	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	136.5	173.3	-58.9	-80.7	0	0	0	111.1	V580 E584 W589 V652 V653 R654 R656 L678 N679 T727	V580-Y729 HydrophobicContact CG1-CD1 4.42Å; V580-Y729 HydrophobicContact CG1-CD2 3.75Å; V580-Y729 HydrophobicContact CG1-CE1 4.34Å; V580-Y729 HydrophobicContact CG1-CE2 3.68Å; V580-Y729 HydrophobicContact CG1-CG 4.14Å; V580-Y729 HydrophobicContact CG2-CD2 4.07Å; V580-Y729 HydrophobicContact CG2-CG 3.97Å; E584-Y729 HydrophobicContact CG-CE1 4.49Å; E584-Y729 WeakPolarHBondContact OE1-CE1 3.22Å; E584-Y729 PolarHBondContact OE1-OH 2.77Å; W589-Y729 AromaticContact CH2-CD1 3.98Å; W589-Y729 HydrophobicContact CH2-CD1 3.98Å; W589-Y729 AromaticContact CH2-CE1 3.8Å; W589-Y729 HydrophobicContact CH2-CE1 3.8Å; W589-Y729 AromaticContact CZ2-CE1 3.96Å; W589-Y729 HydrophobicContact CZ2-CE1 3.96Å; V652-Y729 HydrophobicContact CG1-CD1 4.43Å; V653-Y729 WeakPolarHBondContact O-CA 3.43Å; R654-Y729 HydrophobicContact CB-CD1 4.03Å; R654-Y729 HydrophobicContact CB-CE1 3.93Å; R654-Y729 VanDerWaalsContact CD-CE1 3.48Å; R654-Y729 HydrophobicContact CG-CD1 3.99Å; R654-Y729 HydrophobicContact CG-CE1 3.5Å; R656-Y729 PolarHBondContact NH2-OH 2.91Å; L678-Y729 PolarHBondContact N-O 3.2Å; L678-Y729 VanDerWaalsContact N-O 3.1Å; N679-Y729 WeakPolarHBondContact ND2-CD2 3.31Å; N679-Y729 PolarHBondContact OD1-N 3.14Å; N679-Y729 VanDerWaalsContact OD1-N 3.14Å; T727-Y729 HydrophobicContact CG2-CD1 4.48Å; T727-Y729 HydrophobicContact CG2-CD2 4.23Å; T727-Y729 HydrophobicContact CG2-CE1 3.87Å; T727-Y729 HydrophobicContact CG2-CE2 3.57Å; T727-Y729 WeakPolarHBondContact CG2-OH 3.11Å
730	I	98.1	Very high	96.3	Very high	5 Å²	5	33.3 Å²	33.3	3%	0.026	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	144.2	171.2	60.1	171	0	0	0	110.4	V652 V653 Y655 V676 R728 V732	V652-I730 CarbonylContact C-O 3.45Å; V652-I730 VanDerWaalsContact CA-O 3.32Å; V652-I730 WeakPolarHBondContact CA-O 3.46Å; V653-I730 HydrophobicContact CB-CD1 4.37Å; V653-I730 HydrophobicContact CB-CG1 3.81Å; V653-I730 HydrophobicContact CG2-CG1 4.32Å; V653-I730 PolarHBondContact N-O 2.98Å; V653-I730 PolarHBondContact O-N 3.31Å; V653-I730 VanDerWaalsContact O-N 3.12Å; Y655-I730 HydrophobicContact CE2-CD1 3.8Å; Y655-I730 HydrophobicContact CE2-CG1 4.15Å; V676-I730 CarbonylContact O-C 3.56Å; V676-I730 WeakPolarHBondContact O-CA 3.39Å; V676-I730 WeakPolarHBondContact O-CB 3.22Å; R728-I730 HydrophobicContact CG-CG2 4.47Å; I730-V732 HydrophobicContact CD1-CG2 3.7Å; I730-V732 HydrophobicContact CG1-CG2 3.99Å
731	M	98.3	Very high	96.4	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	124.6	169.3	179.6	53.6	-173.7	0	0	109.5	M613 W622 N650 V652 N675 V676 L678	M613-M731 HydrophobicContact CE-CE 3.91Å; M613-M731 HydrophobicContact CE-SD 3.81Å; M613-M731 HydrophobicContact CG-CE 3.53Å; M613-M731 HydrophobicContact SD-CE 3.68Å; M613-M731 HydrophobicContact SD-SD 4.21Å; W622-M731 HydrophobicContact CD2-CE 3.58Å; W622-M731 HydrophobicContact CE3-CE 4.25Å; W622-M731 HydrophobicContact CG-CE 3.87Å; W622-M731 HydrophobicContact CH2-CB 4.28Å; W622-M731 HydrophobicContact CH2-CE 4.34Å; W622-M731 HydrophobicContact CH2-CG 3.37Å; W622-M731 HydrophobicContact CZ2-CB 4.48Å; W622-M731 HydrophobicContact CZ2-CE 3.68Å; W622-M731 HydrophobicContact CZ2-CG 3.31Å; W622-M731 HydrophobicContact CZ2-SD 4.35Å; W622-M731 HydrophobicContact CZ3-CG 4.04Å; W622-M731 VanDerWaalsContact NE1-CE 3.29Å; N650-M731 HydrophobicContact CB-CE 3.93Å; V652-M731 HydrophobicContact CG2-CB 4.3Å; V652-M731 HydrophobicContact CG2-CG 4.48Å; V652-M731 HydrophobicContact CG2-SD 3.55Å; V652-M731 VanDerWaalsContact CG2-SD 3.55Å; N675-M731 WeakPolarHBondContact CA-O 3.41Å; V676-M731 HydrophobicContact CB-CB 4.27Å; V676-M731 PolarHBondContact N-O 2.72Å; V676-M731 PolarHBondContact O-N 2.92Å; L678-M731 HydrophobicContact CD1-CB 4.09Å; L678-M731 HydrophobicContact CD2-CB 4.07Å; L678-M731 HydrophobicContact CG-CB 4.28Å
732	V	97.7	Very high	96.4	Very high	10 Å²	10	34.4 Å²	34.4	6%	0.061	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	141.2	-176.8	-176.3	0	0	0	0	110.4	N650 F651 V653 T673 L674 I730 F734	N650-V732 WeakPolarHBondContact CA-O 3.39Å; F651-V732 HydrophobicContact CE2-CB 4.07Å; F651-V732 HydrophobicContact CE2-CG1 4.46Å; F651-V732 HydrophobicContact CZ-CB 4.1Å; F651-V732 HydrophobicContact CZ-CG1 4.05Å; F651-V732 PolarHBondContact N-O 3.04Å; F651-V732 VanDerWaalsContact N-O 3.1Å; F651-V732 PolarHBondContact O-N 2.81Å; V653-V732 HydrophobicContact CG2-CG2 4.32Å; T673-V732 HydrophobicContact CG2-CG1 3.96Å; L674-V732 WeakPolarHBondContact O-CA 3.33Å; I730-V732 HydrophobicContact CD1-CG2 3.7Å; I730-V732 HydrophobicContact CG1-CG2 3.99Å; V732-F734 HydrophobicContact CG1-CD1 4Å; V732-F734 HydrophobicContact CG1-CE1 3.61Å; V732-F734 HydrophobicContact CG1-CZ 4.41Å
733	S	97.2	Very high	96.4	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	125.4	171.7	-53.6	0	0	0	0	111	W622 M649 N650 T673 L674 V735	W622-S733 PolarHBondContact NE1-OG 3.3Å; M649-S733 WeakPolarHBondContact O-CA 3.41Å; N650-S733 WeakPolarHBondContact OD1-CB 3.26Å; N650-S733 PolarHBondContact OD1-OG 3.25Å; T673-S733 WeakPolarHBondContact CA-O 3.15Å; L674-S733 PolarHBondContact N-O 3.45Å; L674-S733 PolarHBondContact O-N 3.33Å; S733-V735 PolarHBondContact O-N 2.81Å
734	F	96.1	Very high	96.4	Very high	29 Å²	29	34.2 Å²	34.2	13%	0.127	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	100	172.9	-67.3	-12.7	0	0	0	109	A647 M649 F651 D668 T673 V732	A647-F734 WeakPolarHBondContact CB-O 3.43Å; M649-F734 HydrophobicContact CB-CB 4.15Å; M649-F734 HydrophobicContact CB-CD2 3.92Å; M649-F734 HydrophobicContact CB-CG 4.32Å; M649-F734 HydrophobicContact CG-CD2 4.27Å; M649-F734 PolarHBondContact O-N 2.76Å; F651-F734 HydrophobicContact CE1-CE2 4.33Å; F651-F734 HydrophobicContact CZ-CE2 4.27Å; F651-F734 HydrophobicContact CZ-CZ 4.11Å; D668-F734 HydrophobicContact CB-CD1 3.84Å; D668-F734 HydrophobicContact CB-CE1 3.57Å; D668-F734 HydrophobicContact CB-CE2 4.34Å; D668-F734 HydrophobicContact CB-CG 4.35Å; D668-F734 HydrophobicContact CB-CZ 3.84Å; D668-F734 WeakPolarHBondContact OD1-CE1 3.2Å; D668-F734 VanDerWaalsContact OD1-CZ 3.28Å; D668-F734 WeakPolarHBondContact OD1-CZ 3.37Å; T673-F734 HydrophobicContact CG2-CD1 3.87Å; T673-F734 HydrophobicContact CG2-CE1 3.88Å; V732-F734 HydrophobicContact CG1-CD1 4Å; V732-F734 HydrophobicContact CG1-CE1 3.61Å; V732-F734 HydrophobicContact CG1-CZ 4.41Å
735	V	95.3	Very high	96.4	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.006	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	140.3	-170.3	-166.3	0	0	0	0	110.9	L626 A645 R646 A647 S670 T671 F672 S733	L626-V735 HydrophobicContact CD1-CG2 4.24Å; A645-V735 HydrophobicContact CB-CG1 4.35Å; R646-V735 CarbonylContact O-C 3.16Å; R646-V735 WeakPolarHBondContact O-CA 3.49Å; A647-V735 HydrophobicContact CB-CG2 4.26Å; S670-V735 WeakPolarHBondContact CB-O 3.23Å; T671-V735 PolarHBondContact N-O 3.06Å; F672-V735 HydrophobicContact CD1-CB 4.27Å; F672-V735 HydrophobicContact CD2-CB 4.26Å; F672-V735 HydrophobicContact CE1-CB 3.77Å; F672-V735 HydrophobicContact CE1-CG1 3.62Å; F672-V735 HydrophobicContact CE2-CB 3.77Å; F672-V735 HydrophobicContact CE2-CG1 4.11Å; F672-V735 HydrophobicContact CE2-CG2 3.93Å; F672-V735 HydrophobicContact CZ-CB 3.51Å; F672-V735 HydrophobicContact CZ-CG1 3.37Å; F672-V735 HydrophobicContact CZ-CG2 4.06Å; F672-V735 PolarHBondContact N-O 3.4Å; F672-V735 PolarHBondContact O-N 3.23Å; S733-V735 PolarHBondContact O-N 2.81Å
736	D	94.8	Very high	96.4	Very high	27 Å²	27	20.4 Å²	20.4	14%	0.144	13%	0.128	C	C	.	.			trans	50.1	62.7	-174.1	-62.9	-25.3	0	0	0	112.1	Y641 T643 R646 T671	Y641-D736 WeakPolarHBondContact OH-CB 2.99Å; Y641-D736 PolarHBondContact OH-OD2 3.17Å; T643-D736 VanDerWaalsContact CB-OD2 3.3Å; T643-D736 WeakPolarHBondContact CB-OD2 3.3Å; T643-D736 PolarHBondContact OG1-OD2 2.94Å; R646-D736 PolarHBondContact N-OD1 3.06Å; R646-D736 VanDerWaalsContact N-OD1 3.1Å; R646-D736 PolarHBondContact O-N 2.92Å; T671-D736 VanDerWaalsContact CB-O 3.31Å; T671-D736 WeakPolarHBondContact CB-O 3.3Å; T671-D736 PolarHBondContact N-O 3.18Å; T671-D736 PolarHBondContact OG1-O 3.42Å
737	P	87.3	Confident	96.3	Very high	84 Å²	84	19.1 Å²	19.1	55%	0.545	11%	0.107	S	C	.	.			trans	-67	0	-175.4	29.7	-37.4	0	0	0	115.6	R646 S669 R713	R646-P737 WeakPolarHBondContact O-CD 3.49Å; S669-P737 WeakPolarHBondContact O-CA 3.35Å; S669-P737 WeakPolarHBondContact O-CB 3.37Å; R713-P737 PolarHBondContact NH1-OXT 2.76Å; R713-P737 PolarHBondContact NH2-OXT 2.94Å

Retrieved 737 of 737 residues in 5051.1 ms (Link to these results)

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