A0A087Y3V6_POEFO Loading...

Beta 3-glucosyltransferase b

AlphaFold DB , UniProt , Accession A0A087Y3V6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 459 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.7	Very low	31.3	Very low	247 Å²	247	162.6 Å²	162.6	100%	1.217	85%	0.848	S	S	*	*				0	110.3	0	-74.5	179.2	-160	0	0	108.1
2	A	30.1	Very low	31.1	Very low	105 Å²	105	155.4 Å²	155.4	87%	0.868	84%	0.843	S	S	*	*			trans	169.7	121.6	147.6	0	0	0	0	0	107.2
3	V	32.9	Very low	31.1	Very low	121 Å²	121	151.9 Å²	151.9	73%	0.733	84%	0.837	S	S	*	*			trans	-75.2	146.9	178.4	173.8	0	0	0	0	108.8	W5	V3-W5 HydrophobicContact CG1-CG 4.5Å
4	N	26.6	Very low	31.3	Very low	158 Å²	158	147.9 Å²	147.9	85%	0.845	83%	0.833	S	S	*	*			trans	-137.7	119.6	153.2	-148.9	7.8	0	0	0	110.6
5	W	31.3	Very low	31.4	Very low	207 Å²	207	143.9 Å²	143.9	78%	0.784	82%	0.819	S	S	*	*			trans	-100.4	138.2	171.1	-83.4	48.2	0	0	0	107.6	V3 L7	V3-W5 HydrophobicContact CG1-CG 4.5Å; W5-L7 HydrophobicContact CE3-CD1 4.31Å
6	S	30.8	Very low	31.5	Very low	118 Å²	118	144.3 Å²	144.3	83%	0.825	82%	0.818	S	S	*	*			trans	-138.2	118.4	153.9	-86.8	0	0	0	0	110
7	L	31.8	Very low	31.7	Very low	127 Å²	127	145.7 Å²	145.7	67%	0.665	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-59.9	137.7	169.8	-83.6	72.5	0	0	0	110.6	W5	W5-L7 HydrophobicContact CE3-CD1 4.31Å
8	C	30.4	Very low	32.1	Very low	125 Å²	125	147.2 Å²	147.2	85%	0.845	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-99.5	123.4	157.3	-79.4	0	0	0	0	109.1
9	F	30.3	Very low	32.6	Very low	179 Å²	179	147.1 Å²	147.1	79%	0.785	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-74.3	128.2	170.1	-87.5	-94.3	0	0	0	110
10	F	30	Very low	32.9	Very low	206 Å²	206	145.1 Å²	145.1	90%	0.904	81%	0.807	S	S	*	*			trans	-77.7	115.2	164.1	-87.3	-93.2	0	0	0	109.1
11	F	31.6	Very low	33.3	Very low	196 Å²	196	144.7 Å²	144.7	86%	0.86	81%	0.811	S	S	*	*			trans	-98.9	109.2	155.5	-92.6	-86	0	0	0	107.6
12	G	29.3	Very low	33.7	Very low	76 Å²	76	137.1 Å²	137.1	78%	0.784	79%	0.788	S	S	*	*			trans	-77	116.2	168	0	0	0	0	0	109.5
13	S	31.2	Very low	34.5	Very low	110 Å²	110	143.6 Å²	143.6	77%	0.769	79%	0.79	S	S	*	*			trans	-84.4	114	160.4	61.2	0	0	0	0	108	S15	S13-S15 PolarHBondContact O-N 3.18Å
14	A	33.8	Very low	35.3	Very low	95 Å²	95	138.8 Å²	138.8	79%	0.785	76%	0.764	S	S	*	*			trans	-62.6	104.1	165.2	0	0	0	0	0	108.3	N16	A14-N16 PolarHBondContact O-N 3.21Å
15	S	32.3	Very low	36.7	Very low	89 Å²	89	133.3 Å²	133.3	62%	0.622	74%	0.739	S	S	*	*			trans	-71.2	104.4	163.4	53.8	0	0	0	0	107.5	S13 H17	S13-S15 PolarHBondContact O-N 3.18Å; S15-H17 VanDerWaalsContact C-N 3.26Å; S15-H17 PolarHBondContact O-N 3.07Å
16	N	33.5	Very low	38.4	Very low	150 Å²	150	123.7 Å²	123.7	80%	0.802	70%	0.703	S	S	*	*			trans	-63.1	96.4	157.5	-80.7	-14.8	0	0	0	107	A14 E18	A14-N16 PolarHBondContact O-N 3.21Å; N16-E18 PolarHBondContact O-N 3.4Å
17	H	35.2	Very low	41.1	Very low	168 Å²	168	120.6 Å²	120.6	78%	0.778	68%	0.679	S	S	*	*			trans	-69.5	90	156.8	-93.6	-67.8	0	0	0	106.7	S15 D19	S15-H17 VanDerWaalsContact C-N 3.26Å; S15-H17 PolarHBondContact O-N 3.07Å; H17-D19 PolarHBondContact O-N 3.4Å
18	E	38.3	Very low	43.9	Very low	172 Å²	172	114.6 Å²	114.6	80%	0.804	65%	0.648	S	S	*	*			trans	-67.7	113.6	153.6	-75.8	-177.3	161.9	0	0	106.6	N16	N16-E18 PolarHBondContact O-N 3.4Å
19	D	42.1	Very low	46.9	Very low	146 Å²	146	114.3 Å²	114.3	78%	0.781	63%	0.634	S	S	*	*			trans	-56.5	132.6	162.6	-77.7	-40.5	0	0	0	108.4	H17	H17-D19 PolarHBondContact O-N 3.4Å
20	P	38.3	Very low	50	Low	107 Å²	107	108.4 Å²	108.4	70%	0.695	61%	0.609	S	S	*	*			trans	-68.2	133.5	177.5	26.9	-30.6	0	0	0	109.4	A22	P20-A22 PolarHBondContact O-N 3.2Å
21	P	41.3	Very low	53.2	Low	137 Å²	137	98.9 Å²	98.9	89%	0.89	57%	0.567	S	S	*	*			trans	-78	77.5	171.7	32.6	-31.2	0	0	0	108.7	R23	P21-R23 PolarHBondContact O-N 3.27Å
22	A	47	Very low	56.4	Low	87 Å²	87	89.7 Å²	89.7	72%	0.719	53%	0.527	S	S	*	.			trans	-99.2	70.9	172.2	0	0	0	0	0	110.2	P20	P20-A22 PolarHBondContact O-N 3.2Å
23	R	46.4	Very low	59.7	Low	242 Å²	242	86 Å²	86	91%	0.913	49%	0.49	S	S	*	.	S	Bend	trans	-121.5	109.1	157.2	-84.4	-175.5	178.9	175.9	1.1	106.5	P21 S25	P21-R23 PolarHBondContact O-N 3.27Å; R23-S25 PolarHBondContact O-N 3.35Å
24	G	49.6	Very low	62.9	Low	19 Å²	19	80.8 Å²	80.8	20%	0.196	45%	0.453	C	S	.	.			trans	-46.1	127.4	-171.6	0	0	0	0	0	113.1	A26	G24-A26 PolarHBondContact O-N 3.01Å
25	S	55.9	Low	66	Low	44 Å²	44	76.3 Å²	76.3	31%	0.308	42%	0.416	S	S	.	.			trans	-67.8	111.5	172.4	46.5	0	0	0	0	108.5	R23 V27 E30	R23-S25 PolarHBondContact O-N 3.35Å; S25-V27 VanDerWaalsContact C-N 3.32Å; S25-E30 VanDerWaalsContact CB-OE2 3.26Å; S25-E30 WeakPolarHBondContact CB-OE2 3.38Å; S25-E30 PolarHBondContact OG-OE1 3.18Å; S25-E30 PolarHBondContact OG-OE2 3.37Å
26	A	67.3	Low	69.1	Low	5 Å²	5	73.3 Å²	73.3	4%	0.041	39%	0.392	C	S	.	.			trans	-104	58.4	156.2	0	0	0	0	0	108.1	G24 Q116 L119 K120	G24-A26 PolarHBondContact O-N 3.01Å; A26-Q116 PolarHBondContact O-NE2 3.41Å; A26-Q116 VanDerWaalsContact O-NE2 3.13Å; A26-L119 HydrophobicContact CB-CB 3.78Å; A26-K120 HydrophobicContact CB-CG 3.65Å
27	V	86.9	Confident	72.1	Confident	53 Å²	53	66.5 Å²	66.5	32%	0.321	36%	0.356	S	S	.	.			trans	-74.4	141.9	172.4	-178.5	0	0	0	0	107	S25 E29 E30	S25-V27 VanDerWaalsContact C-N 3.32Å; V27-E29 HydrophobicContact CG1-CB 4.23Å; V27-E29 HydrophobicContact CG1-CG 4.5Å; V27-E29 PolarHBondContact O-N 2.65Å; V27-E30 HydrophobicContact CB-CG 4.49Å; V27-E30 PolarHBondContact O-N 2.61Å; V27-E30 VanDerWaalsContact O-N 3.14Å
28	L	90.3	Very high	75	Confident	1 Å²	1	59.6 Å²	59.6	1%	0.005	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-60.4	-32.6	-176.2	-70.3	-180	0	0	0	112.1	E30 L31 A58 L61 Q63 P66 L112 Q116	L28-E30 PolarHBondContact O-N 2.91Å; L28-L31 WeakPolarHBondContact O-CB 3.42Å; L28-L31 PolarHBondContact O-N 3.48Å; L28-L31 VanDerWaalsContact O-N 3.08Å; L28-A58 HydrophobicContact CD1-CB 4.28Å; L28-L61 HydrophobicContact CD1-CD1 4.22Å; L28-Q63 HydrophobicContact CD1-CB 4.09Å; L28-P66 WeakPolarHBondContact O-CA 3.2Å; L28-P66 WeakPolarHBondContact O-CB 3.38Å; L28-L112 HydrophobicContact CD2-CB 4.32Å; L28-L112 HydrophobicContact CD2-CD2 4.18Å; L28-Q116 HydrophobicContact CD2-CG 3.63Å; L28-Q116 HydrophobicContact CG-CG 4.38Å
29	E	94.3	Very high	77.8	Confident	119 Å²	119	54.8 Å²	54.8	56%	0.556	30%	0.301	S	S	*	.	G	3₁₀ helix	trans	-64.4	-23.2	179.8	-66.5	155.5	166.2	0	0	113.4	V27 G64 L65	V27-E29 HydrophobicContact CG1-CB 4.23Å; V27-E29 HydrophobicContact CG1-CG 4.5Å; V27-E29 PolarHBondContact O-N 2.65Å; E29-G64 VanDerWaalsContact OE1-CA 3.29Å; E29-G64 WeakPolarHBondContact OE1-CA 3.43Å; E29-L65 WeakPolarHBondContact CA-O 3.18Å
30	E	95.8	Very high	80.4	Confident	55 Å²	55	48.2 Å²	48.2	26%	0.257	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-96.5	7.9	178	-58.9	175.3	-172	0	0	112.1	S25 V27 L28 A98 S99 W100	S25-E30 VanDerWaalsContact CB-OE2 3.26Å; S25-E30 WeakPolarHBondContact CB-OE2 3.38Å; S25-E30 PolarHBondContact OG-OE1 3.18Å; S25-E30 PolarHBondContact OG-OE2 3.37Å; V27-E30 HydrophobicContact CB-CG 4.49Å; V27-E30 PolarHBondContact O-N 2.61Å; V27-E30 VanDerWaalsContact O-N 3.14Å; L28-E30 PolarHBondContact O-N 2.91Å; E30-A98 CarbonylContact O-C 3.5Å; E30-A98 WeakPolarHBondContact O-CA 3.45Å; E30-S99 PolarHBondContact O-N 2.99Å; E30-S99 WeakPolarHBondContact OE2-CB 3.32Å; E30-S99 PolarHBondContact OE2-OG 2.56Å; E30-W100 PolarHBondContact O-N 3.5Å
31	L	97.7	Very high	83.2	Confident	5 Å²	5	45.5 Å²	45.5	3%	0.026	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	122.4	178.6	178.9	65.1	0	0	0	110.3	L28 I33 P66 V67 W100 L102 L112 L115 L119	L28-L31 WeakPolarHBondContact O-CB 3.42Å; L28-L31 PolarHBondContact O-N 3.48Å; L28-L31 VanDerWaalsContact O-N 3.08Å; L31-I33 HydrophobicContact CD1-CG1 4.45Å; L31-I33 HydrophobicContact CD2-CD1 3.82Å; L31-I33 HydrophobicContact CD2-CG1 3.89Å; L31-I33 HydrophobicContact CG-CD1 4.29Å; L31-I33 HydrophobicContact CG-CG1 3.82Å; L31-P66 HydrophobicContact CB-CB 4.19Å; L31-P66 HydrophobicContact CD2-CB 4.43Å; L31-P66 HydrophobicContact CG-CB 4.41Å; L31-P66 WeakPolarHBondContact O-CA 3.32Å; L31-P66 WeakPolarHBondContact O-CB 3.44Å; L31-V67 PolarHBondContact O-N 3.09Å; L31-W100 HydrophobicContact CD1-CB 3.76Å; L31-L102 HydrophobicContact CD1-CB 4.21Å; L31-L112 HydrophobicContact CD2-CD2 4.45Å; L31-L115 HydrophobicContact CD2-CD2 3.73Å; L31-L119 HydrophobicContact CD1-CD1 4.07Å
32	V	98.6	Very high	85.8	Confident	3 Å²	3	40.3 Å²	40.3	2%	0.018	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	119.4	169.4	-179.6	0	0	0	0	108.8	V34 V67 L69 Y94 A98 W100 F101 L102	V32-V34 HydrophobicContact CG1-CG2 4.21Å; V32-V67 CarbonylContact C-O 3.52Å; V32-V67 WeakPolarHBondContact CA-O 3.49Å; V32-V67 HydrophobicContact CG1-CG1 4.4Å; V32-V67 HydrophobicContact CG2-CB 4.17Å; V32-L69 HydrophobicContact CG1-CD1 3.75Å; V32-L69 HydrophobicContact CG1-CG 4.39Å; V32-Y94 HydrophobicContact CG2-CD1 4.25Å; V32-Y94 HydrophobicContact CG2-CG 3.97Å; V32-A98 HydrophobicContact CG2-CB 3.6Å; V32-W100 PolarHBondContact N-O 2.81Å; V32-F101 HydrophobicContact CB-CD1 3.76Å; V32-F101 HydrophobicContact CB-CE1 4Å; V32-F101 HydrophobicContact CB-CG 4.48Å; V32-F101 HydrophobicContact CG1-CD1 3.9Å; V32-F101 HydrophobicContact CG1-CE1 4.13Å; V32-F101 HydrophobicContact CG2-CD1 4.29Å; V32-F101 HydrophobicContact CG2-CE1 4.02Å; V32-F101 CarbonylContact O-C 3.59Å; V32-F101 WeakPolarHBondContact O-CA 3.38Å; V32-L102 PolarHBondContact O-N 2.77Å
33	I	98.7	Very high	88.2	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	115.1	176.8	-54	176.6	0	0	0	108.6	L31 I54 P66 V67 V68 L69 L102 V104 L112	L31-I33 HydrophobicContact CD1-CG1 4.45Å; L31-I33 HydrophobicContact CD2-CD1 3.82Å; L31-I33 HydrophobicContact CD2-CG1 3.89Å; L31-I33 HydrophobicContact CG-CD1 4.29Å; L31-I33 HydrophobicContact CG-CG1 3.82Å; I33-I54 HydrophobicContact CD1-CG2 3.78Å; I33-I54 HydrophobicContact CG2-CD1 4.28Å; I33-P66 HydrophobicContact CD1-CB 4.24Å; I33-P66 HydrophobicContact CD1-CG 4.23Å; I33-V67 PolarHBondContact N-O 3.26Å; I33-V68 HydrophobicContact CB-CG1 4.5Å; I33-V68 HydrophobicContact CB-CG2 4.44Å; I33-V68 CarbonylContact O-C 3.55Å; I33-V68 WeakPolarHBondContact O-CA 3.34Å; I33-L69 PolarHBondContact O-N 3.14Å; I33-L102 CarbonylContact C-O 3.56Å; I33-L102 WeakPolarHBondContact CA-O 3.2Å; I33-L102 HydrophobicContact CD1-CD2 4.32Å; I33-L102 HydrophobicContact CG1-CB 4.32Å; I33-L102 HydrophobicContact CG1-CD2 4.08Å; I33-L102 HydrophobicContact CG2-CD2 4.04Å; I33-L102 HydrophobicContact CG2-CG 4.5Å; I33-V104 HydrophobicContact CG2-CG2 3.86Å; I33-L112 HydrophobicContact CD1-CD2 4.05Å
34	V	98.7	Very high	90.6	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	111.5	175.6	-173.6	0	0	0	0	108.8	V32 L69 L71 L90 L102 F103 V104	V32-V34 HydrophobicContact CG1-CG2 4.21Å; V34-L69 HydrophobicContact CG2-CD1 4.41Å; V34-L71 HydrophobicContact CG1-CB 4.34Å; V34-L71 HydrophobicContact CG1-CD1 4.18Å; V34-L90 HydrophobicContact CG2-CD1 4.04Å; V34-L90 HydrophobicContact CG2-CD2 4.44Å; V34-L102 PolarHBondContact N-O 2.8Å; V34-F103 HydrophobicContact CB-CD1 3.77Å; V34-F103 HydrophobicContact CB-CE1 3.99Å; V34-F103 HydrophobicContact CG1-CD1 4.12Å; V34-F103 HydrophobicContact CG1-CE1 4.27Å; V34-F103 HydrophobicContact CG2-CD1 4.22Å; V34-F103 HydrophobicContact CG2-CE1 3.94Å; V34-F103 WeakPolarHBondContact O-CA 3.47Å; V34-V104 PolarHBondContact O-N 2.89Å
35	I	98.6	Very high	92.9	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	117.3	171.5	-58.5	164.4	0	0	0	107.6	S37 R50 K51 I54 V68 L69 L70 L71 V104 E106	I35-S37 PolarHBondContact O-N 3.37Å; I35-S37 PolarHBondContact O-OG 3.41Å; I35-S37 VanDerWaalsContact O-OG 3.12Å; I35-R50 HydrophobicContact CD1-CB 4.01Å; I35-R50 HydrophobicContact CD1-CG 3.68Å; I35-R50 HydrophobicContact CG1-CG 4.19Å; I35-K51 HydrophobicContact CD1-CB 3.87Å; I35-I54 HydrophobicContact CD1-CD1 4.3Å; I35-V68 HydrophobicContact CD1-CG1 3.69Å; I35-V68 HydrophobicContact CG1-CG1 4.3Å; I35-L69 PolarHBondContact N-O 3.4Å; I35-L70 HydrophobicContact CB-CD2 3.91Å; I35-L70 HydrophobicContact CD1-CD2 3.74Å; I35-L70 HydrophobicContact CG1-CD2 4.39Å; I35-L70 HydrophobicContact CG2-CD2 4.28Å; I35-L71 WeakPolarHBondContact O-CB 3.31Å; I35-L71 PolarHBondContact O-N 3.47Å; I35-V104 CarbonylContact C-O 3.6Å; I35-V104 WeakPolarHBondContact CA-O 3.45Å; I35-V104 HydrophobicContact CG1-CG2 4.13Å; I35-E106 HydrophobicContact CG2-CB 4.5Å; I35-E106 HydrophobicContact CG2-CG 4.15Å
36	Q	96.9	Very high	94.8	Very high	27 Å²	27	30.5 Å²	30.5	13%	0.126	15%	0.152	C	C	.	.			trans	-70.9	63.3	179.1	-61	-170.6	53.1	0	0	111.5	L71 I83 V104	Q36-L71 HydrophobicContact CB-CD2 4.26Å; Q36-L71 HydrophobicContact CG-CD2 4.33Å; Q36-I83 HydrophobicContact CG-CD1 4.11Å; Q36-V104 PolarHBondContact N-O 2.92Å
37	S	96.4	Very high	96.2	Very high	6 Å²	6	30.2 Å²	30.2	4%	0.042	15%	0.15	C	C	.	.			trans	-90.1	161.6	-174.2	46.5	0	0	0	0	112.9	I35 L70 L71 H72 E106	I35-S37 PolarHBondContact O-N 3.37Å; I35-S37 PolarHBondContact O-OG 3.41Å; I35-S37 VanDerWaalsContact O-OG 3.12Å; S37-L70 WeakPolarHBondContact OG-CA 3.37Å; S37-L70 WeakPolarHBondContact OG-CB 3.45Å; S37-L71 PolarHBondContact OG-N 3.13Å; S37-H72 VanDerWaalsContact CB-ND1 3.29Å; S37-H72 WeakPolarHBondContact CB-ND1 3.35Å; S37-H72 PolarHBondContact OG-ND1 3.04Å; S37-E106 WeakPolarHBondContact CA-OE1 3.37Å; S37-E106 WeakPolarHBondContact CB-OE1 3.3Å
38	Q	96.8	Very high	96.8	Very high	23 Å²	23	32.5 Å²	32.5	11%	0.107	15%	0.153	C	C	.	.			trans	-119.8	154.1	-176.6	-46	-173	66.8	0	0	112.7	N40 H43 A44 E106 H409	Q38-N40 VanDerWaalsContact C-N 3.28Å; Q38-N40 PolarHBondContact O-N 2.95Å; Q38-H43 HydrophobicContact CB-CB 3.71Å; Q38-H43 HydrophobicContact CG-CB 4.32Å; Q38-H43 PolarHBondContact NE2-CE1 3.27Å; Q38-A44 PolarHBondContact O-N 2.71Å; Q38-E106 PolarHBondContact N-OE1 2.97Å; Q38-E106 VanDerWaalsContact N-OE1 3.07Å; Q38-H409 PolarHBondContact NE2-O 3.33Å
39	K	96.3	Very high	97.1	Very high	72 Å²	72	37.5 Å²	37.5	31%	0.313	18%	0.176	S	C	.	.	S	Bend	trans	-68.2	-19.9	-177.4	-69.2	-167	-173.3	169.7	0	115.1	S41 H72 D76 E78 P406	K39-S41 PolarHBondContact O-N 3.3Å; K39-H72 HydrophobicContact CG-CB 3.78Å; K39-D76 PolarHBondContact NZ-O 3.25Å; K39-E78 WeakPolarHBondContact CD-OE1 3.29Å; K39-E78 WeakPolarHBondContact CE-OE1 3Å; K39-E78 IonicContact NZ-OE1 2.89Å; K39-E78 PolarHBondContact NZ-OE1 3.03Å; K39-P406 HydrophobicContact CB-CB 4.13Å; K39-P406 HydrophobicContact CB-CG 4.12Å
40	N	96.8	Very high	97.2	Very high	8 Å²	8	33.5 Å²	33.5	4%	0.043	16%	0.156	C	C	.	.	S	Bend	trans	-59.6	138.7	175.9	175.2	-92.4	0	0	0	110.1	Q38 Y42 H43 A44 Y338 T408	Q38-N40 VanDerWaalsContact C-N 3.28Å; Q38-N40 PolarHBondContact O-N 2.95Å; N40-Y42 VanDerWaalsContact C-N 3.27Å; N40-Y42 PolarHBondContact O-N 3.35Å; N40-Y42 VanDerWaalsContact O-N 3.16Å; N40-Y42 WeakPolarHBondContact OD1-CB 3.46Å; N40-Y42 PolarHBondContact OD1-N 2.93Å; N40-H43 PolarHBondContact O-N 3.15Å; N40-A44 PolarHBondContact O-N 2.97Å; N40-Y338 WeakPolarHBondContact OD1-CD1 3.31Å; N40-T408 HydrophobicContact CB-CG2 4.13Å
41	S	97	Very high	97.3	Very high	50 Å²	50	33.5 Å²	33.5	35%	0.35	16%	0.156	S	C	.	.	H	α-helix	trans	-54.6	-39.4	-170.8	60.9	0	0	0	0	114	K39 Q45 E342	K39-S41 PolarHBondContact O-N 3.3Å; S41-Q45 WeakPolarHBondContact O-CB 3.41Å; S41-Q45 PolarHBondContact O-N 3.09Å; S41-E342 WeakPolarHBondContact CB-OE2 3.3Å; S41-E342 VanDerWaalsContact OG-CD 3.26Å; S41-E342 PolarHBondContact OG-OE1 2.74Å; S41-E342 PolarHBondContact OG-OE2 2.84Å
42	Y	96.5	Very high	97.4	Very high	28 Å²	28	39.6 Å²	39.6	11%	0.11	18%	0.184	C	C	.	.	H	α-helix	trans	-61.2	-49.8	176.6	167.2	-108.2	0	0	0	111.5	N40 R46 P230 C337 Y338	N40-Y42 VanDerWaalsContact C-N 3.27Å; N40-Y42 PolarHBondContact O-N 3.35Å; N40-Y42 VanDerWaalsContact O-N 3.16Å; N40-Y42 WeakPolarHBondContact OD1-CB 3.46Å; N40-Y42 PolarHBondContact OD1-N 2.93Å; Y42-R46 HydrophobicContact CE2-CG 4.35Å; Y42-R46 WeakPolarHBondContact O-CG 3.42Å; Y42-R46 PolarHBondContact O-N 2.99Å; Y42-R46 WeakPolarHBondContact OH-CD 3.42Å; Y42-R46 PolarHBondContact OH-NH1 3.34Å; Y42-P230 WeakPolarHBondContact OH-CB 3.4Å; Y42-P230 VanDerWaalsContact OH-CG 3.31Å; Y42-P230 WeakPolarHBondContact OH-CG 3.39Å; Y42-C337 WeakPolarHBondContact CB-O 3.45Å; Y42-C337 HydrophobicContact CD1-CB 4.15Å; Y42-C337 HydrophobicContact CD2-CB 3.75Å; Y42-C337 HydrophobicContact CE1-CB 4.02Å; Y42-C337 HydrophobicContact CE2-CB 3.59Å; Y42-C337 HydrophobicContact CG-CB 4.02Å; Y42-Y338 HydrophobicContact CD1-CE1 4.12Å
43	H	96.9	Very high	97.3	Very high	13 Å²	13	43.2 Å²	43.2	6%	0.06	20%	0.199	C	C	.	.	H	α-helix	trans	-67.1	-46.7	179.7	-75.9	-68	0	0	0	111.9	Q38 N40 Q45 R46 G47 E106 Y338 T408	Q38-H43 HydrophobicContact CB-CB 3.71Å; Q38-H43 HydrophobicContact CG-CB 4.32Å; Q38-H43 PolarHBondContact NE2-CE1 3.27Å; N40-H43 PolarHBondContact O-N 3.15Å; H43-Q45 VanDerWaalsContact C-N 3.32Å; H43-Q45 PolarHBondContact O-N 3.37Å; H43-R46 WeakPolarHBondContact O-CB 3.41Å; H43-R46 PolarHBondContact O-N 2.78Å; H43-R46 VanDerWaalsContact O-N 3.07Å; H43-G47 PolarHBondContact O-N 3.33Å; H43-E106 WeakPolarHBondContact CA-OE2 3.22Å; H43-E106 VanDerWaalsContact CB-OE1 3.3Å; H43-E106 WeakPolarHBondContact CB-OE1 3.33Å; H43-E106 IonicContact CE1-OE2 2.76Å; H43-E106 IonicContact CG-OE1 3.63Å; H43-E106 IonicContact CG-OE2 3.81Å; H43-E106 IonicContact ND1-OE1 2.77Å; H43-E106 IonicContact ND1-OE2 2.75Å; H43-E106 PolarHBondContact ND1-OE2 3.31Å; H43-E106 VanDerWaalsContact O-OE1 3.06Å; H43-Y338 AromaticContact NE2-CE1 3.85Å; H43-Y338 AromaticContact NE2-CZ 3.82Å; H43-Y338 PolarHBondContact NE2-OH 2.73Å; H43-T408 VanDerWaalsContact CD2-CG2 3.47Å; H43-T408 WeakPolarHBondContact CD2-CG2 3.43Å
44	A	97.4	Very high	97.3	Very high	12 Å²	12	43.3 Å²	43.3	10%	0.099	20%	0.2	C	C	.	.	H	α-helix	trans	-55.1	-46.8	175.9	0	0	0	0	0	111.6	Q38 N40 R46 G47 Y48	Q38-A44 PolarHBondContact O-N 2.71Å; N40-A44 PolarHBondContact O-N 2.97Å; A44-R46 VanDerWaalsContact C-N 3.34Å; A44-R46 PolarHBondContact O-N 3.35Å; A44-G47 PolarHBondContact O-N 3.1Å; A44-Y48 HydrophobicContact CB-CE2 4.26Å; A44-Y48 WeakPolarHBondContact O-CD2 3.45Å; A44-Y48 PolarHBondContact O-N 3.47Å
45	Q	97.1	Very high	97.3	Very high	117 Å²	117	45.9 Å²	45.9	55%	0.547	21%	0.213	S	C	.	.	H	α-helix	trans	-58.9	-43.3	176.8	-173	177.4	17.6	0	0	112.3	S41 H43 Y48 Q49	S41-Q45 WeakPolarHBondContact O-CB 3.41Å; S41-Q45 PolarHBondContact O-N 3.09Å; H43-Q45 VanDerWaalsContact C-N 3.32Å; H43-Q45 PolarHBondContact O-N 3.37Å; Q45-Y48 PolarHBondContact O-N 3.01Å; Q45-Q49 VanDerWaalsContact O-CG 3.31Å; Q45-Q49 WeakPolarHBondContact O-CG 3.37Å; Q45-Q49 PolarHBondContact O-N 3.34Å
46	R	95.6	Very high	97.2	Very high	43 Å²	43	51.5 Å²	51.5	16%	0.162	24%	0.24	C	C	.	.	H	α-helix	trans	-65.4	-40.7	176	-69.1	-171.6	73.9	172.7	10.1	112.1	Y42 H43 A44 Y48 Q49 R50 E106 E107	Y42-R46 HydrophobicContact CE2-CG 4.35Å; Y42-R46 WeakPolarHBondContact O-CG 3.42Å; Y42-R46 PolarHBondContact O-N 2.99Å; Y42-R46 WeakPolarHBondContact OH-CD 3.42Å; Y42-R46 PolarHBondContact OH-NH1 3.34Å; H43-R46 WeakPolarHBondContact O-CB 3.41Å; H43-R46 PolarHBondContact O-N 2.78Å; H43-R46 VanDerWaalsContact O-N 3.07Å; A44-R46 VanDerWaalsContact C-N 3.34Å; A44-R46 PolarHBondContact O-N 3.35Å; R46-Y48 PolarHBondContact O-N 2.89Å; R46-Q49 PolarHBondContact O-N 3.19Å; R46-R50 WeakPolarHBondContact O-CB 3.26Å; R46-R50 PolarHBondContact O-N 3.35Å; R46-E106 HydrophobicContact CB-CB 4.17Å; R46-E107 IonicContact CZ-OE1 3.1Å; R46-E107 IonicContact NE-OE1 3.01Å; R46-E107 PolarHBondContact NE-OE1 3.31Å; R46-E107 IonicContact NH1-OE1 3.65Å; R46-E107 PolarHBondContact NH1-OE1 3Å; R46-E107 IonicContact NH2-OE1 3.63Å; R46-E107 PolarHBondContact NH2-OE1 3.26Å
47	G	97.3	Very high	97.2	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-54.7	-50.2	172.5	0	0	0	0	0	111.8	H43 A44 R50 K51 L70	H43-G47 PolarHBondContact O-N 3.33Å; A44-G47 PolarHBondContact O-N 3.1Å; G47-R50 PolarHBondContact O-N 3.47Å; G47-K51 WeakPolarHBondContact O-CB 3.39Å; G47-K51 PolarHBondContact O-N 3.14Å; G47-L70 WeakPolarHBondContact O-CD2 3.34Å
48	Y	98.4	Very high	97.2	Very high	100 Å²	100	52.1 Å²	52.1	39%	0.392	24%	0.243	S	C	.	.	H	α-helix	trans	-60.5	-47	176.5	-67.4	-61.6	0	0	0	112.4	A44 Q45 R46 R50 K51 E52 L70 E73	A44-Y48 HydrophobicContact CB-CE2 4.26Å; A44-Y48 WeakPolarHBondContact O-CD2 3.45Å; A44-Y48 PolarHBondContact O-N 3.47Å; Q45-Y48 PolarHBondContact O-N 3.01Å; R46-Y48 PolarHBondContact O-N 2.89Å; Y48-R50 VanDerWaalsContact C-N 3.29Å; Y48-R50 PolarHBondContact O-N 2.88Å; Y48-K51 WeakPolarHBondContact O-CB 3.5Å; Y48-K51 PolarHBondContact O-N 3.23Å; Y48-E52 WeakPolarHBondContact O-CG 3.24Å; Y48-E52 PolarHBondContact O-N 3.37Å; Y48-L70 HydrophobicContact CD1-CD1 3.33Å; Y48-L70 HydrophobicContact CE1-CD1 3.35Å; Y48-L70 HydrophobicContact CG-CD1 3.96Å; Y48-E73 VanDerWaalsContact CE1-OE1 3.27Å; Y48-E73 WeakPolarHBondContact CE1-OE1 3.44Å; Y48-E73 VanDerWaalsContact CZ-OE1 3.24Å; Y48-E73 PolarHBondContact OH-OE1 3.05Å
49	Q	97.1	Very high	97.2	Very high	106 Å²	106	53.9 Å²	53.9	50%	0.495	26%	0.262	S	S	.	.	H	α-helix	trans	-59.1	-41.6	177.4	-72.1	171.4	-4.2	0	0	111.9	Q45 R46 K53	Q45-Q49 VanDerWaalsContact O-CG 3.31Å; Q45-Q49 WeakPolarHBondContact O-CG 3.37Å; Q45-Q49 PolarHBondContact O-N 3.34Å; R46-Q49 PolarHBondContact O-N 3.19Å; Q49-K53 WeakPolarHBondContact O-CB 3.48Å; Q49-K53 PolarHBondContact O-N 3.01Å
50	R	97.1	Very high	97.2	Very high	35 Å²	35	56.2 Å²	56.2	13%	0.132	28%	0.278	C	S	.	.	H	α-helix	trans	-64.1	-45.3	176.4	179.4	57.7	61.4	-158.1	6.8	111.2	I35 R46 G47 Y48 K53 I54 E106 E107 T108	I35-R50 HydrophobicContact CD1-CB 4.01Å; I35-R50 HydrophobicContact CD1-CG 3.68Å; I35-R50 HydrophobicContact CG1-CG 4.19Å; R46-R50 WeakPolarHBondContact O-CB 3.26Å; R46-R50 PolarHBondContact O-N 3.35Å; G47-R50 PolarHBondContact O-N 3.47Å; Y48-R50 VanDerWaalsContact C-N 3.29Å; Y48-R50 PolarHBondContact O-N 2.88Å; R50-K53 PolarHBondContact O-N 3.41Å; R50-I54 HydrophobicContact CG-CD1 4.02Å; R50-I54 WeakPolarHBondContact O-CG1 3.45Å; R50-I54 PolarHBondContact O-N 3.28Å; R50-E106 PolarHBondContact NE-O 3.44Å; R50-E106 PolarHBondContact NH2-O 2.94Å; R50-E107 PolarHBondContact NH2-O 3.07Å; R50-T108 WeakPolarHBondContact CD-O 3.31Å; R50-T108 PolarHBondContact NE-O 3.17Å
51	K	98.4	Very high	97.1	Very high	56 Å²	56	58.7 Å²	58.7	24%	0.243	29%	0.291	C	S	.	.	H	α-helix	trans	-59.5	-50.5	177	171.4	166.4	174.8	167.9	0	111.9	I35 G47 Y48 K53 I54 L55 V68 L70	I35-K51 HydrophobicContact CD1-CB 3.87Å; G47-K51 WeakPolarHBondContact O-CB 3.39Å; G47-K51 PolarHBondContact O-N 3.14Å; Y48-K51 WeakPolarHBondContact O-CB 3.5Å; Y48-K51 PolarHBondContact O-N 3.23Å; K51-K53 VanDerWaalsContact C-N 3.31Å; K51-K53 PolarHBondContact O-N 3.35Å; K51-I54 PolarHBondContact O-N 3.02Å; K51-L55 HydrophobicContact CG-CD1 4.02Å; K51-L55 WeakPolarHBondContact O-CG 3.41Å; K51-L55 PolarHBondContact O-N 3.27Å; K51-V68 HydrophobicContact CB-CG1 3.94Å; K51-V68 HydrophobicContact CD-CB 4.45Å; K51-V68 HydrophobicContact CD-CG1 4.28Å; K51-V68 WeakPolarHBondContact CE-O 3.39Å; K51-V68 HydrophobicContact CG-CB 4.04Å; K51-V68 HydrophobicContact CG-CG1 3.75Å; K51-V68 PolarHBondContact NZ-O 2.64Å; K51-L70 HydrophobicContact CB-CD2 4.18Å; K51-L70 HydrophobicContact CD-CD1 4.48Å; K51-L70 HydrophobicContact CD-CD2 4.32Å; K51-L70 HydrophobicContact CD-CG 4.13Å
52	E	98.3	Very high	96.8	Very high	133 Å²	133	59.5 Å²	59.5	62%	0.621	31%	0.307	S	S	*	.	H	α-helix	trans	-57.8	-44.9	176.8	-74.4	-177.8	169.6	0	0	111.5	Y48 I54 L55 Q56	Y48-E52 WeakPolarHBondContact O-CG 3.24Å; Y48-E52 PolarHBondContact O-N 3.37Å; E52-I54 PolarHBondContact O-N 3.08Å; E52-L55 PolarHBondContact O-N 2.03Å; E52-Q56 WeakPolarHBondContact O-CB 2.97Å; E52-Q56 PolarHBondContact O-N 3.09Å
53	K	97.7	Very high	96.5	Very high	78 Å²	78	62.9 Å²	62.9	34%	0.339	32%	0.324	S	S	.	.	H	α-helix	trans	-61.6	-43.5	179	-175.4	60.2	171.1	77	0	112.5	Q49 R50 K51 Q56 D57	Q49-K53 WeakPolarHBondContact O-CB 3.48Å; Q49-K53 PolarHBondContact O-N 3.01Å; R50-K53 PolarHBondContact O-N 3.41Å; K51-K53 VanDerWaalsContact C-N 3.31Å; K51-K53 PolarHBondContact O-N 3.35Å; K53-Q56 PolarHBondContact O-N 2.87Å; K53-D57 IonicContact NZ-OD1 2.61Å; K53-D57 PolarHBondContact NZ-OD1 3.03Å; K53-D57 IonicContact NZ-OD2 2.65Å; K53-D57 PolarHBondContact NZ-OD2 3.45Å; K53-D57 WeakPolarHBondContact O-CB 3.26Å; K53-D57 VanDerWaalsContact O-CG 3.24Å; K53-D57 PolarHBondContact O-N 3.31Å
54	I	98	Very high	96.2	Very high	2 Å²	2	63.3 Å²	63.3	1%	0.01	33%	0.332	C	S	.	.	H	α-helix	trans	-62.9	-45.6	177.9	-70.1	168.5	0	0	0	110.5	I33 I35 R50 K51 E52 D57 A58 P66 V68 V110 L112	I33-I54 HydrophobicContact CD1-CG2 3.78Å; I33-I54 HydrophobicContact CG2-CD1 4.28Å; I35-I54 HydrophobicContact CD1-CD1 4.3Å; R50-I54 HydrophobicContact CG-CD1 4.02Å; R50-I54 WeakPolarHBondContact O-CG1 3.45Å; R50-I54 PolarHBondContact O-N 3.28Å; K51-I54 PolarHBondContact O-N 3.02Å; E52-I54 PolarHBondContact O-N 3.08Å; I54-D57 PolarHBondContact O-N 3.33Å; I54-A58 WeakPolarHBondContact O-CB 3.12Å; I54-A58 PolarHBondContact O-N 2.78Å; I54-P66 HydrophobicContact CG2-CG 4.32Å; I54-V68 HydrophobicContact CB-CG2 4.41Å; I54-V68 HydrophobicContact CD1-CG1 4.43Å; I54-V68 HydrophobicContact CG2-CG2 3.71Å; I54-V110 HydrophobicContact CD1-CG2 4.15Å; I54-V110 HydrophobicContact CG1-CB 4.5Å; I54-L112 HydrophobicContact CG2-CD2 4.42Å
55	L	98.1	Very high	96.1	Very high	54 Å²	54	67.3 Å²	67.3	28%	0.283	35%	0.351	S	S	.	.	H	α-helix	trans	-65.6	-39.1	179.3	-69	172	0	0	0	112	K51 E52 A58 A59 V68	K51-L55 HydrophobicContact CG-CD1 4.02Å; K51-L55 WeakPolarHBondContact O-CG 3.41Å; K51-L55 PolarHBondContact O-N 3.27Å; E52-L55 PolarHBondContact O-N 2.03Å; L55-A58 PolarHBondContact O-N 2.88Å; L55-A59 WeakPolarHBondContact O-CB 3.44Å; L55-A59 PolarHBondContact O-N 3.49Å; L55-V68 HydrophobicContact CD2-CB 4.45Å; L55-V68 HydrophobicContact CD2-CG2 3.79Å; L55-V68 HydrophobicContact CG-CG2 4.09Å
56	Q	97.9	Very high	96.1	Very high	119 Å²	119	62 Å²	62	56%	0.556	33%	0.327	S	S	*	.	H	α-helix	trans	-63.6	-43.6	174.1	-171.8	-179.6	18.5	0	0	111.5	E52 K53 A58 A59 N60	E52-Q56 WeakPolarHBondContact O-CB 2.97Å; E52-Q56 PolarHBondContact O-N 3.09Å; K53-Q56 PolarHBondContact O-N 2.87Å; Q56-A58 VanDerWaalsContact C-N 3.33Å; Q56-A58 PolarHBondContact O-N 3.47Å; Q56-A59 PolarHBondContact O-N 2.77Å; Q56-N60 PolarHBondContact O-N 2.99Å; Q56-N60 PolarHBondContact O-ND2 2.58Å
57	D	96.6	Very high	96.3	Very high	45 Å²	45	62 Å²	62	24%	0.241	33%	0.332	C	S	.	.	H	α-helix	trans	-63.5	-39.3	176.3	-72.3	-18.2	0	0	0	111.9	K53 I54 N60 L61 L112	K53-D57 IonicContact NZ-OD1 2.61Å; K53-D57 PolarHBondContact NZ-OD1 3.03Å; K53-D57 IonicContact NZ-OD2 2.65Å; K53-D57 PolarHBondContact NZ-OD2 3.45Å; K53-D57 WeakPolarHBondContact O-CB 3.26Å; K53-D57 VanDerWaalsContact O-CG 3.24Å; K53-D57 PolarHBondContact O-N 3.31Å; I54-D57 PolarHBondContact O-N 3.33Å; D57-N60 PolarHBondContact O-N 3.47Å; D57-L61 WeakPolarHBondContact O-CG 3.2Å; D57-L61 PolarHBondContact O-N 3.36Å; D57-L112 HydrophobicContact CB-CD1 4.09Å
58	A	96.9	Very high	96.3	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-63.8	-46	174.7	0	0	0	0	0	111.8	L28 I54 L55 Q56 N60 L61 G62 L65 P66 L112	L28-A58 HydrophobicContact CD1-CB 4.28Å; I54-A58 WeakPolarHBondContact O-CB 3.12Å; I54-A58 PolarHBondContact O-N 2.78Å; L55-A58 PolarHBondContact O-N 2.88Å; Q56-A58 VanDerWaalsContact C-N 3.33Å; Q56-A58 PolarHBondContact O-N 3.47Å; A58-N60 VanDerWaalsContact C-N 3.28Å; A58-N60 PolarHBondContact O-N 3.4Å; A58-L61 WeakPolarHBondContact O-CB 3.28Å; A58-L61 PolarHBondContact O-N 3.16Å; A58-G62 PolarHBondContact O-N 2.87Å; A58-L65 HydrophobicContact CB-CD2 3.81Å; A58-P66 VanDerWaalsContact CB-CD 3.44Å; A58-P66 HydrophobicContact CB-CG 4.23Å; A58-L112 HydrophobicContact CB-CD1 3.63Å
59	A	96.5	Very high	96.3	Very high	61 Å²	61	58.4 Å²	58.4	50%	0.504	32%	0.319	S	S	.	.	H	α-helix	trans	-59.3	-39.8	176.9	0	0	0	0	0	112	L55 Q56 L61 G62 L65	L55-A59 WeakPolarHBondContact O-CB 3.44Å; L55-A59 PolarHBondContact O-N 3.49Å; Q56-A59 PolarHBondContact O-N 2.77Å; A59-L61 VanDerWaalsContact C-N 3.29Å; A59-L61 PolarHBondContact O-N 3.05Å; A59-G62 PolarHBondContact O-N 3.42Å; A59-L65 HydrophobicContact CB-CD2 4.29Å
60	N	96.1	Very high	96.4	Very high	121 Å²	121	53.5 Å²	53.5	65%	0.647	30%	0.296	S	S	*	.	H	α-helix	trans	-66.3	-28.1	176.5	-70	-28	0	0	0	113.3	Q56 D57 A58	Q56-N60 PolarHBondContact O-N 2.99Å; Q56-N60 PolarHBondContact O-ND2 2.58Å; D57-N60 PolarHBondContact O-N 3.47Å; A58-N60 VanDerWaalsContact C-N 3.28Å; A58-N60 PolarHBondContact O-N 3.4Å
61	L	94.3	Very high	96.4	Very high	60 Å²	60	52 Å²	52	31%	0.314	29%	0.291	S	S	.	.	H	α-helix	trans	-75.5	-25.3	175	-70	173.7	0	0	0	112.6	L28 D57 A58 A59 Q63 L112 H113	L28-L61 HydrophobicContact CD1-CD1 4.22Å; D57-L61 WeakPolarHBondContact O-CG 3.2Å; D57-L61 PolarHBondContact O-N 3.36Å; A58-L61 WeakPolarHBondContact O-CB 3.28Å; A58-L61 PolarHBondContact O-N 3.16Å; A59-L61 VanDerWaalsContact C-N 3.29Å; A59-L61 PolarHBondContact O-N 3.05Å; L61-Q63 VanDerWaalsContact C-N 3.3Å; L61-Q63 PolarHBondContact O-N 3.49Å; L61-L112 HydrophobicContact CD1-CB 3.64Å; L61-L112 HydrophobicContact CD1-CD1 4.24Å; L61-H113 HydrophobicContact CD1-CB 4.38Å; L61-H113 HydrophobicContact CD2-CB 4.23Å
62	G	90.3	Very high	96.3	Very high	67 Å²	67	50.7 Å²	50.7	69%	0.691	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.4	26.9	178.9	0	0	0	0	0	114.4	A58 A59	A58-G62 PolarHBondContact O-N 2.87Å; A59-G62 PolarHBondContact O-N 3.42Å
63	Q	89.5	Confident	96.2	Very high	98 Å²	98	48.7 Å²	48.7	46%	0.458	28%	0.276	S	S	.	.	S	Bend	trans	-116	32.3	-176.3	-63.7	-178.3	12.7	0	0	112.7	L28 L61	L28-Q63 HydrophobicContact CD1-CB 4.09Å; L61-Q63 VanDerWaalsContact C-N 3.3Å; L61-Q63 PolarHBondContact O-N 3.49Å
64	G	90.9	Very high	96.1	Very high	22 Å²	22	46.8 Å²	46.8	23%	0.227	27%	0.269	C	S	.	.			trans	83.7	179.3	-172.8	0	0	0	0	0	113.3	E29	E29-G64 VanDerWaalsContact OE1-CA 3.29Å; E29-G64 WeakPolarHBondContact OE1-CA 3.43Å
65	L	96.1	Very high	95.9	Very high	97 Å²	97	48.8 Å²	48.8	51%	0.508	28%	0.283	S	S	.	.			trans	-118.5	131.9	-177	-65.6	177.5	0	0	0	110.7	E29 A58 A59	E29-L65 WeakPolarHBondContact CA-O 3.18Å; A58-L65 HydrophobicContact CB-CD2 3.81Å; A59-L65 HydrophobicContact CB-CD2 4.29Å
66	P	97.5	Very high	95.5	Very high	6 Å²	6	53.5 Å²	53.5	4%	0.039	31%	0.309	C	S	.	.			trans	-72	159	169.1	32.8	-34.3	0	0	0	111.3	L28 L31 I33 I54 A58 V68	L28-P66 WeakPolarHBondContact O-CA 3.2Å; L28-P66 WeakPolarHBondContact O-CB 3.38Å; L31-P66 HydrophobicContact CB-CB 4.19Å; L31-P66 HydrophobicContact CD2-CB 4.43Å; L31-P66 HydrophobicContact CG-CB 4.41Å; L31-P66 WeakPolarHBondContact O-CA 3.32Å; L31-P66 WeakPolarHBondContact O-CB 3.44Å; I33-P66 HydrophobicContact CD1-CB 4.24Å; I33-P66 HydrophobicContact CD1-CG 4.23Å; I54-P66 HydrophobicContact CG2-CG 4.32Å; A58-P66 VanDerWaalsContact CB-CD 3.44Å; A58-P66 HydrophobicContact CB-CG 4.23Å; P66-V68 HydrophobicContact CG-CG2 4.06Å
67	V	98.3	Very high	95.3	Very high	43 Å²	43	50.2 Å²	50.2	26%	0.261	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	124.8	165.5	177.5	0	0	0	0	107.8	L31 V32 I33 L69 Y94	L31-V67 PolarHBondContact O-N 3.09Å; V32-V67 CarbonylContact C-O 3.52Å; V32-V67 WeakPolarHBondContact CA-O 3.49Å; V32-V67 HydrophobicContact CG1-CG1 4.4Å; V32-V67 HydrophobicContact CG2-CB 4.17Å; I33-V67 PolarHBondContact N-O 3.26Å; V67-L69 HydrophobicContact CG1-CD1 4.27Å; V67-L69 HydrophobicContact CG1-CD2 3.66Å; V67-L69 HydrophobicContact CG1-CG 3.86Å; V67-Y94 HydrophobicContact CB-CE1 4.37Å; V67-Y94 HydrophobicContact CG1-CD1 4.29Å; V67-Y94 HydrophobicContact CG1-CE1 3.6Å; V67-Y94 HydrophobicContact CG1-CE2 4.5Å; V67-Y94 HydrophobicContact CG2-CD1 4.29Å; V67-Y94 HydrophobicContact CG2-CE1 4.03Å
68	V	98.6	Very high	94.9	Very high	7 Å²	7	50.1 Å²	50.1	4%	0.042	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	117	178.6	-170.4	0	0	0	0	110.5	I33 I35 K51 I54 L55 P66	I33-V68 HydrophobicContact CB-CG1 4.5Å; I33-V68 HydrophobicContact CB-CG2 4.44Å; I33-V68 CarbonylContact O-C 3.55Å; I33-V68 WeakPolarHBondContact O-CA 3.34Å; I35-V68 HydrophobicContact CD1-CG1 3.69Å; I35-V68 HydrophobicContact CG1-CG1 4.3Å; K51-V68 HydrophobicContact CB-CG1 3.94Å; K51-V68 HydrophobicContact CD-CB 4.45Å; K51-V68 HydrophobicContact CD-CG1 4.28Å; K51-V68 WeakPolarHBondContact CE-O 3.39Å; K51-V68 HydrophobicContact CG-CB 4.04Å; K51-V68 HydrophobicContact CG-CG1 3.75Å; K51-V68 PolarHBondContact NZ-O 2.64Å; I54-V68 HydrophobicContact CB-CG2 4.41Å; I54-V68 HydrophobicContact CD1-CG1 4.43Å; I54-V68 HydrophobicContact CG2-CG2 3.71Å; L55-V68 HydrophobicContact CD2-CB 4.45Å; L55-V68 HydrophobicContact CD2-CG2 3.79Å; L55-V68 HydrophobicContact CG-CG2 4.09Å; P66-V68 HydrophobicContact CG-CG2 4.06Å
69	L	98.6	Very high	94.7	Very high	17 Å²	17	50.2 Å²	50.2	9%	0.089	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	143.9	-171	-55.1	177.4	0	0	0	111	V32 I33 V34 I35 V67 L74 L90 Y94	V32-L69 HydrophobicContact CG1-CD1 3.75Å; V32-L69 HydrophobicContact CG1-CG 4.39Å; I33-L69 PolarHBondContact O-N 3.14Å; V34-L69 HydrophobicContact CG2-CD1 4.41Å; I35-L69 PolarHBondContact N-O 3.4Å; V67-L69 HydrophobicContact CG1-CD1 4.27Å; V67-L69 HydrophobicContact CG1-CD2 3.66Å; V67-L69 HydrophobicContact CG1-CG 3.86Å; L69-L74 HydrophobicContact CB-CD2 4.23Å; L69-L74 HydrophobicContact CD1-CD2 4.19Å; L69-L74 HydrophobicContact CD2-CD2 4.43Å; L69-L90 HydrophobicContact CD1-CD2 3.59Å; L69-Y94 HydrophobicContact CD1-CD2 4.2Å; L69-Y94 HydrophobicContact CD1-CE2 3.51Å; L69-Y94 HydrophobicContact CD2-CE2 4.36Å; L69-Y94 WeakPolarHBondContact CD2-OH 3.46Å
70	L	98.6	Very high	94.6	Very high	2 Å²	2	47.7 Å²	47.7	1%	0.01	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	117.3	170.3	-59.8	-173.4	0	0	0	107.9	I35 S37 G47 Y48 K51 H72 E73	I35-L70 HydrophobicContact CB-CD2 3.91Å; I35-L70 HydrophobicContact CD1-CD2 3.74Å; I35-L70 HydrophobicContact CG1-CD2 4.39Å; I35-L70 HydrophobicContact CG2-CD2 4.28Å; S37-L70 WeakPolarHBondContact OG-CA 3.37Å; S37-L70 WeakPolarHBondContact OG-CB 3.45Å; G47-L70 WeakPolarHBondContact O-CD2 3.34Å; Y48-L70 HydrophobicContact CD1-CD1 3.33Å; Y48-L70 HydrophobicContact CE1-CD1 3.35Å; Y48-L70 HydrophobicContact CG-CD1 3.96Å; K51-L70 HydrophobicContact CB-CD2 4.18Å; K51-L70 HydrophobicContact CD-CD1 4.48Å; K51-L70 HydrophobicContact CD-CD2 4.32Å; K51-L70 HydrophobicContact CD-CG 4.13Å; L70-H72 PolarHBondContact O-N 3.44Å; L70-E73 HydrophobicContact CB-CB 4.4Å; L70-E73 HydrophobicContact CB-CG 4.01Å; L70-E73 PolarHBondContact O-N 3.27Å
71	L	97.4	Very high	94.6	Very high	4 Å²	4	43.1 Å²	43.1	2%	0.021	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-54.4	-38.9	-173.6	-173.6	58.1	0	0	0	112.9	V34 I35 Q36 S37 E73 L74 N80 I83 V86	V34-L71 HydrophobicContact CG1-CB 4.34Å; V34-L71 HydrophobicContact CG1-CD1 4.18Å; I35-L71 WeakPolarHBondContact O-CB 3.31Å; I35-L71 PolarHBondContact O-N 3.47Å; Q36-L71 HydrophobicContact CB-CD2 4.26Å; Q36-L71 HydrophobicContact CG-CD2 4.33Å; S37-L71 PolarHBondContact OG-N 3.13Å; L71-E73 PolarHBondContact O-N 3.4Å; L71-L74 HydrophobicContact CD1-CD1 4.01Å; L71-L74 PolarHBondContact O-N 2.96Å; L71-N80 HydrophobicContact CD1-CB 4.13Å; L71-N80 WeakPolarHBondContact CD1-O 3.37Å; L71-N80 WeakPolarHBondContact CD2-O 3.4Å; L71-N80 HydrophobicContact CG-CB 4.41Å; L71-I83 HydrophobicContact CD1-CD1 4.26Å; L71-I83 HydrophobicContact CD2-CD1 3.6Å; L71-V86 HydrophobicContact CD1-CB 4.48Å; L71-V86 HydrophobicContact CD1-CG1 3.79Å
72	H	96.3	Very high	94.6	Very high	28 Å²	28	40.5 Å²	40.5	13%	0.13	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-70.1	-12.1	-179.9	74.1	-86.6	0	0	0	115	S37 K39 L70	S37-H72 VanDerWaalsContact CB-ND1 3.29Å; S37-H72 WeakPolarHBondContact CB-ND1 3.35Å; S37-H72 PolarHBondContact OG-ND1 3.04Å; K39-H72 HydrophobicContact CG-CB 3.78Å; L70-H72 PolarHBondContact O-N 3.44Å
73	E	96.9	Very high	94.9	Very high	92 Å²	92	37.3 Å²	37.3	43%	0.43	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	-99.8	-8.9	177.6	-60.8	-171.9	131.1	0	0	113	Y48 L70 L71 S75	Y48-E73 VanDerWaalsContact CE1-OE1 3.27Å; Y48-E73 WeakPolarHBondContact CE1-OE1 3.44Å; Y48-E73 VanDerWaalsContact CZ-OE1 3.24Å; Y48-E73 PolarHBondContact OH-OE1 3.05Å; L70-E73 HydrophobicContact CB-CB 4.4Å; L70-E73 HydrophobicContact CB-CG 4.01Å; L70-E73 PolarHBondContact O-N 3.27Å; L71-E73 PolarHBondContact O-N 3.4Å; E73-S75 PolarHBondContact O-N 2.63Å
74	L	95.4	Very high	95.1	Very high	37 Å²	37	33.8 Å²	33.8	19%	0.194	18%	0.181	C	C	.	.	S	Bend	trans	-70.4	-31.2	-173.1	-68.8	-178.5	0	0	0	113.2	L69 L71 V86 L89 L90	L69-L74 HydrophobicContact CB-CD2 4.23Å; L69-L74 HydrophobicContact CD1-CD2 4.19Å; L69-L74 HydrophobicContact CD2-CD2 4.43Å; L71-L74 HydrophobicContact CD1-CD1 4.01Å; L71-L74 PolarHBondContact O-N 2.96Å; L74-V86 HydrophobicContact CB-CG2 4.11Å; L74-V86 HydrophobicContact CD1-CG2 3.59Å; L74-V86 HydrophobicContact CG-CG2 4.5Å; L74-L89 HydrophobicContact CB-CD2 4.28Å; L74-L90 HydrophobicContact CD1-CD2 4.03Å
75	S	93.4	Very high	95.3	Very high	44 Å²	44	34 Å²	34	31%	0.308	18%	0.178	S	C	.	.			trans	-162	170.7	168.1	77.4	0	0	0	0	110.7	E73 Y77 N80	E73-S75 PolarHBondContact O-N 2.63Å; S75-Y77 PolarHBondContact O-N 3.39Å; S75-Y77 WeakPolarHBondContact OG-CB 3.38Å; S75-Y77 PolarHBondContact OG-N 3.02Å; S75-N80 PolarHBondContact OG-ND2 3.31Å
76	D	90.1	Very high	95.3	Very high	153 Å²	153	29.4 Å²	29.4	82%	0.818	15%	0.154	S	C	*	.	S	Bend	trans	-68.5	-13.7	174.1	-68.9	-39.3	0	0	0	113.2	K39 E78	K39-D76 PolarHBondContact NZ-O 3.25Å; D76-E78 PolarHBondContact O-N 2.9Å
77	Y	92.3	Very high	95.3	Very high	50 Å²	50	29.3 Å²	29.3	20%	0.196	15%	0.153	C	C	.	.			trans	-74.1	112.4	-176.6	-176.2	-126.3	0	0	0	112.2	S75 G79 N80 P85 L354 N357 G358	S75-Y77 PolarHBondContact O-N 3.39Å; S75-Y77 WeakPolarHBondContact OG-CB 3.38Å; S75-Y77 PolarHBondContact OG-N 3.02Å; Y77-G79 VanDerWaalsContact CE1-CA 3.49Å; Y77-G79 PolarHBondContact O-N 3.36Å; Y77-N80 VanDerWaalsContact O-CG 3.3Å; Y77-N80 PolarHBondContact O-N 3.28Å; Y77-N80 PolarHBondContact O-ND2 3.49Å; Y77-P85 HydrophobicContact CD1-CB 4.23Å; Y77-P85 HydrophobicContact CE1-CB 3.89Å; Y77-P85 HydrophobicContact CE1-CG 4.17Å; Y77-L354 WeakPolarHBondContact CE1-O 3.27Å; Y77-L354 VanDerWaalsContact OH-CA 3.32Å; Y77-L354 WeakPolarHBondContact OH-CA 3.47Å; Y77-L354 PolarHBondContact OH-O 2.86Å; Y77-N357 HydrophobicContact CE2-CB 4.41Å; Y77-N357 WeakPolarHBondContact OH-CA 3.32Å; Y77-N357 PolarHBondContact OH-N 2.87Å; Y77-G358 PolarHBondContact OH-N 3.18Å
78	E	89.1	Confident	95.2	Very high	44 Å²	44	28.1 Å²	28.1	21%	0.206	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-56.4	-34.7	179.3	-68.7	-61.7	123	0	0	112.8	K39 D76 N80 W81 P406	K39-E78 WeakPolarHBondContact CD-OE1 3.29Å; K39-E78 WeakPolarHBondContact CE-OE1 3Å; K39-E78 IonicContact NZ-OE1 2.89Å; K39-E78 PolarHBondContact NZ-OE1 3.03Å; D76-E78 PolarHBondContact O-N 2.9Å; E78-N80 PolarHBondContact O-N 2.87Å; E78-W81 PolarHBondContact O-N 2.78Å; E78-P406 WeakPolarHBondContact OE2-CB 3.26Å
79	G	92.6	Very high	95.1	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.01	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-62.2	-11.8	-175.4	0	0	0	0	0	115	Y77 W81 S82	Y77-G79 VanDerWaalsContact CE1-CA 3.49Å; Y77-G79 PolarHBondContact O-N 3.36Å; G79-W81 PolarHBondContact O-N 2.98Å; G79-S82 WeakPolarHBondContact O-CB 3.45Å; G79-S82 PolarHBondContact O-N 2.78Å; G79-S82 PolarHBondContact O-OG 3.45Å
80	N	94.8	Very high	95	Very high	9 Å²	9	30.1 Å²	30.1	5%	0.048	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-54.6	-25.3	174.4	-71.9	-13.1	0	0	0	113.5	L71 S75 Y77 E78 S82 I83 V86	L71-N80 HydrophobicContact CD1-CB 4.13Å; L71-N80 WeakPolarHBondContact CD1-O 3.37Å; L71-N80 WeakPolarHBondContact CD2-O 3.4Å; L71-N80 HydrophobicContact CG-CB 4.41Å; S75-N80 PolarHBondContact OG-ND2 3.31Å; Y77-N80 VanDerWaalsContact O-CG 3.3Å; Y77-N80 PolarHBondContact O-N 3.28Å; Y77-N80 PolarHBondContact O-ND2 3.49Å; E78-N80 PolarHBondContact O-N 2.87Å; N80-S82 PolarHBondContact O-N 3.4Å; N80-S82 VanDerWaalsContact O-N 3.08Å; N80-I83 PolarHBondContact O-N 3.03Å; N80-V86 HydrophobicContact CB-CB 4.35Å
81	W	95.1	Very high	94.9	Very high	24 Å²	24	30.7 Å²	30.7	9%	0.091	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-56.4	-25.6	175	77.4	-104.6	0	0	0	113	E78 G79 I83 T187 L190 R349 L354 S360	E78-W81 PolarHBondContact O-N 2.78Å; G79-W81 PolarHBondContact O-N 2.98Å; W81-I83 PolarHBondContact O-N 2.8Å; W81-T187 HydrophobicContact CH2-CG2 3.4Å; W81-T187 HydrophobicContact CZ2-CG2 3.97Å; W81-T187 HydrophobicContact CZ3-CG2 3.93Å; W81-L190 HydrophobicContact CE3-CD2 4.35Å; W81-L190 HydrophobicContact CZ3-CB 4.3Å; W81-L190 WeakPolarHBondContact O-CD2 3.35Å; W81-R349 VanDerWaalsContact CG-CZ 3.42Å; W81-R349 VanDerWaalsContact CG-NH2 3.27Å; W81-R349 HydrophobicContact CZ2-CG 4.07Å; W81-L354 HydrophobicContact CZ2-CD1 3.69Å; W81-S360 PolarHBondContact NE1-OG 2.98Å
82	S	95	Very high	94.9	Very high	5 Å²	5	34.6 Å²	34.6	4%	0.035	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-80.8	3.8	177	67	0	0	0	0	114.5	G79 N80 L84 P85 L190	G79-S82 WeakPolarHBondContact O-CB 3.45Å; G79-S82 PolarHBondContact O-N 2.78Å; G79-S82 PolarHBondContact O-OG 3.45Å; N80-S82 PolarHBondContact O-N 3.4Å; N80-S82 VanDerWaalsContact O-N 3.08Å; S82-L84 PolarHBondContact O-N 3.03Å; S82-P85 WeakPolarHBondContact OG-CD 3.45Å; S82-P85 WeakPolarHBondContact OG-CG 3.31Å; S82-L190 VanDerWaalsContact C-CD1 3.43Å; S82-L190 VanDerWaalsContact CA-CD1 3.47Å; S82-L190 WeakPolarHBondContact O-CD1 3.43Å
83	I	96.2	Very high	95	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.005	21%	0.21	C	C	.	.	S	Bend	trans	64.6	-46.5	176.7	-53.3	-61.9	0	0	0	115.1	Q36 L71 N80 W81 V86 L87 F103 W163 L190 I194	Q36-I83 HydrophobicContact CG-CD1 4.11Å; L71-I83 HydrophobicContact CD1-CD1 4.26Å; L71-I83 HydrophobicContact CD2-CD1 3.6Å; N80-I83 PolarHBondContact O-N 3.03Å; W81-I83 PolarHBondContact O-N 2.8Å; I83-V86 WeakPolarHBondContact O-CG1 3.43Å; I83-V86 PolarHBondContact O-N 2.88Å; I83-L87 HydrophobicContact CG2-CD2 3.77Å; I83-L87 HydrophobicContact CG2-CG 4.43Å; I83-L87 WeakPolarHBondContact O-CG 3.39Å; I83-L87 PolarHBondContact O-N 2.73Å; I83-F103 HydrophobicContact CD1-CD1 3.95Å; I83-F103 HydrophobicContact CD1-CE1 4.24Å; I83-F103 HydrophobicContact CG2-CD1 4.12Å; I83-F103 HydrophobicContact CG2-CE1 3.65Å; I83-F103 HydrophobicContact CG2-CZ 4.13Å; I83-W163 HydrophobicContact CG1-CZ2 4.37Å; I83-W163 HydrophobicContact CG2-CH2 3.98Å; I83-W163 HydrophobicContact CG2-CZ2 4.28Å; I83-L190 HydrophobicContact CG1-CD1 4.35Å; I83-L190 HydrophobicContact CG1-CD2 4.25Å; I83-I194 HydrophobicContact CB-CD1 3.76Å; I83-I194 HydrophobicContact CG1-CD1 3.92Å; I83-I194 HydrophobicContact CG2-CD1 4.22Å
84	L	94.9	Very high	95	Very high	24 Å²	24	35.4 Å²	35.4	13%	0.126	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-53.7	-47.2	-179.4	-58.5	-177.2	0	0	0	112.3	S82 V86 L87 I177 I194 F197 M355	S82-L84 PolarHBondContact O-N 3.03Å; L84-V86 PolarHBondContact O-N 3.42Å; L84-V86 VanDerWaalsContact O-N 3.08Å; L84-L87 HydrophobicContact CD2-CD1 4.09Å; L84-L87 PolarHBondContact O-N 3.12Å; L84-I177 HydrophobicContact CB-CD1 4.3Å; L84-I177 WeakPolarHBondContact O-CD1 3.45Å; L84-I194 HydrophobicContact CD2-CG1 4.29Å; L84-F197 HydrophobicContact CD1-CB 4.24Å; L84-F197 HydrophobicContact CD1-CD1 4.44Å; L84-F197 HydrophobicContact CD1-CD2 4.26Å; L84-F197 HydrophobicContact CD1-CG 4.04Å; L84-F197 HydrophobicContact CD2-CB 4.34Å; L84-F197 HydrophobicContact CD2-CD1 3.57Å; L84-F197 HydrophobicContact CD2-CE1 4.09Å; L84-F197 HydrophobicContact CD2-CG 3.98Å; L84-M355 HydrophobicContact CB-CE 4.42Å; L84-M355 HydrophobicContact CB-SD 3.66Å
85	P	94.3	Very high	94.9	Very high	26 Å²	26	34.9 Å²	34.9	17%	0.169	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-61.2	-23.6	-179.9	-24.6	36.1	0	0	0	114.4	Y77 S82 L354 M355	Y77-P85 HydrophobicContact CD1-CB 4.23Å; Y77-P85 HydrophobicContact CE1-CB 3.89Å; Y77-P85 HydrophobicContact CE1-CG 4.17Å; S82-P85 WeakPolarHBondContact OG-CD 3.45Å; S82-P85 WeakPolarHBondContact OG-CG 3.31Å; P85-L354 WeakPolarHBondContact CG-O 3.49Å; P85-M355 HydrophobicContact CG-SD 3.75Å
86	V	95.7	Very high	94.9	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.006	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-94.8	-13.9	-176.2	78.7	0	0	0	0	113.4	L71 L74 N80 I83 L84 L89 L90	L71-V86 HydrophobicContact CD1-CB 4.48Å; L71-V86 HydrophobicContact CD1-CG1 3.79Å; L74-V86 HydrophobicContact CB-CG2 4.11Å; L74-V86 HydrophobicContact CD1-CG2 3.59Å; L74-V86 HydrophobicContact CG-CG2 4.5Å; N80-V86 HydrophobicContact CB-CB 4.35Å; I83-V86 WeakPolarHBondContact O-CG1 3.43Å; I83-V86 PolarHBondContact O-N 2.88Å; L84-V86 PolarHBondContact O-N 3.42Å; L84-V86 VanDerWaalsContact O-N 3.08Å; V86-L89 HydrophobicContact CG2-CB 4.3Å; V86-L89 HydrophobicContact CG2-CD2 4.13Å; V86-L89 WeakPolarHBondContact O-CB 3.44Å; V86-L89 PolarHBondContact O-N 3.23Å; V86-L89 VanDerWaalsContact O-N 3.11Å; V86-L90 HydrophobicContact CG1-CD1 4.1Å; V86-L90 HydrophobicContact CG2-CG 4.36Å; V86-L90 WeakPolarHBondContact O-CG 3.33Å; V86-L90 PolarHBondContact O-N 3.23Å
87	L	96.9	Very high	95.1	Very high	3 Å²	3	38.5 Å²	38.5	2%	0.016	22%	0.216	C	C	.	.	H	α-helix	trans	-56.9	-43.1	-179	-59.1	-174.1	0	0	0	113.5	I83 L84 L89 L90 S91 F103 H170 L173 I177	I83-L87 HydrophobicContact CG2-CD2 3.77Å; I83-L87 HydrophobicContact CG2-CG 4.43Å; I83-L87 WeakPolarHBondContact O-CG 3.39Å; I83-L87 PolarHBondContact O-N 2.73Å; L84-L87 HydrophobicContact CD2-CD1 4.09Å; L84-L87 PolarHBondContact O-N 3.12Å; L87-L89 VanDerWaalsContact C-N 3.31Å; L87-L89 PolarHBondContact O-N 3.21Å; L87-L90 HydrophobicContact CD2-CD1 4.49Å; L87-L90 PolarHBondContact O-N 3.38Å; L87-S91 PolarHBondContact O-N 2.82Å; L87-F103 HydrophobicContact CD2-CZ 4.06Å; L87-H170 PolarHBondContact O-NE2 3.11Å; L87-L173 HydrophobicContact CD1-CB 3.86Å; L87-L173 HydrophobicContact CD1-CD1 4.14Å; L87-I177 HydrophobicContact CB-CD1 3.91Å; L87-I177 HydrophobicContact CD1-CD1 3.87Å; L87-I177 HydrophobicContact CG-CD1 4.22Å
88	P	96.3	Very high	95.3	Very high	19 Å²	19	36.4 Å²	36.4	12%	0.123	21%	0.209	C	C	.	.	H	α-helix	trans	-60.9	-38.7	176.3	-24.8	36.2	0	0	0	113.3	S91 A92 I177 Q178	P88-S91 PolarHBondContact O-N 3.21Å; P88-A92 WeakPolarHBondContact O-CB 3.15Å; P88-A92 PolarHBondContact O-N 3.04Å; P88-I177 HydrophobicContact CG-CB 4Å; P88-I177 HydrophobicContact CG-CG2 3.54Å; P88-Q178 HydrophobicContact CB-CG 4.02Å; P88-Q178 HydrophobicContact CG-CG 4.19Å
89	L	96.5	Very high	95.7	Very high	64 Å²	64	35 Å²	35	34%	0.335	20%	0.204	S	C	.	.	H	α-helix	trans	-65.6	-44.9	176.8	179.7	64.3	0	0	0	111	L74 V86 L87 S91 A92 I93	L74-L89 HydrophobicContact CB-CD2 4.28Å; V86-L89 HydrophobicContact CG2-CB 4.3Å; V86-L89 HydrophobicContact CG2-CD2 4.13Å; V86-L89 WeakPolarHBondContact O-CB 3.44Å; V86-L89 PolarHBondContact O-N 3.23Å; V86-L89 VanDerWaalsContact O-N 3.11Å; L87-L89 VanDerWaalsContact C-N 3.31Å; L87-L89 PolarHBondContact O-N 3.21Å; L89-S91 VanDerWaalsContact C-N 3.32Å; L89-S91 PolarHBondContact O-N 3.11Å; L89-A92 PolarHBondContact O-N 3.46Å; L89-I93 HydrophobicContact CD1-CD1 3.73Å; L89-I93 HydrophobicContact CD1-CG1 4.35Å; L89-I93 HydrophobicContact CG-CD1 3.98Å; L89-I93 WeakPolarHBondContact O-CG1 3.5Å; L89-I93 PolarHBondContact O-N 3.15Å; L89-I93 VanDerWaalsContact O-N 3.15Å
90	L	97.7	Very high	96	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.005	20%	0.204	C	C	.	.	H	α-helix	trans	-62.4	-39.8	176.4	-68	176.2	0	0	0	111.7	V34 L69 L74 V86 L87 I93 Y94 F101 F103	V34-L90 HydrophobicContact CG2-CD1 4.04Å; V34-L90 HydrophobicContact CG2-CD2 4.44Å; L69-L90 HydrophobicContact CD1-CD2 3.59Å; L74-L90 HydrophobicContact CD1-CD2 4.03Å; V86-L90 HydrophobicContact CG1-CD1 4.1Å; V86-L90 HydrophobicContact CG2-CG 4.36Å; V86-L90 WeakPolarHBondContact O-CG 3.33Å; V86-L90 PolarHBondContact O-N 3.23Å; L87-L90 HydrophobicContact CD2-CD1 4.49Å; L87-L90 PolarHBondContact O-N 3.38Å; L90-I93 PolarHBondContact O-N 3.02Å; L90-Y94 HydrophobicContact CD2-CD2 4.23Å; L90-Y94 HydrophobicContact CD2-CE2 4.32Å; L90-Y94 WeakPolarHBondContact O-CB 3.34Å; L90-Y94 PolarHBondContact O-N 3.4Å; L90-F101 HydrophobicContact CB-CE1 4.16Å; L90-F103 HydrophobicContact CD1-CE1 4.28Å; L90-F103 HydrophobicContact CD1-CZ 4.38Å
91	S	96.9	Very high	96.1	Very high	15 Å²	15	34.7 Å²	34.7	11%	0.105	20%	0.202	C	C	.	.	H	α-helix	trans	-63.5	-45.1	174.9	-121.9	0	0	0	0	111.6	L87 P88 L89 I93 G95 H170 Q171 A174	L87-S91 PolarHBondContact O-N 2.82Å; P88-S91 PolarHBondContact O-N 3.21Å; L89-S91 VanDerWaalsContact C-N 3.32Å; L89-S91 PolarHBondContact O-N 3.11Å; S91-I93 VanDerWaalsContact C-N 3.26Å; S91-I93 PolarHBondContact O-N 3.08Å; S91-G95 VanDerWaalsContact O-CA 3.25Å; S91-G95 WeakPolarHBondContact O-CA 3.22Å; S91-G95 PolarHBondContact O-N 2.64Å; S91-H170 PolarHBondContact N-NE2 2.9Å; S91-H170 PolarHBondContact OG-CD2 2.73Å; S91-Q171 PolarHBondContact OG-OE1 2.81Å; S91-A174 WeakPolarHBondContact OG-CB 3.39Å
92	A	96.7	Very high	96.3	Very high	85 Å²	85	33.6 Å²	33.6	70%	0.702	20%	0.197	S	C	*	.	H	α-helix	trans	-63.2	-32.4	-178.5	0	0	0	0	0	113	P88 L89	P88-A92 WeakPolarHBondContact O-CB 3.15Å; P88-A92 PolarHBondContact O-N 3.04Å; L89-A92 PolarHBondContact O-N 3.46Å
93	I	97.4	Very high	96.5	Very high	93 Å²	93	33.3 Å²	33.3	48%	0.477	20%	0.196	S	C	.	.	H	α-helix	trans	-92.7	-40.8	-176.8	-59.1	170.6	0	0	0	111.9	L89 L90 S91	L89-I93 HydrophobicContact CD1-CD1 3.73Å; L89-I93 HydrophobicContact CD1-CG1 4.35Å; L89-I93 HydrophobicContact CG-CD1 3.98Å; L89-I93 WeakPolarHBondContact O-CG1 3.5Å; L89-I93 PolarHBondContact O-N 3.15Å; L89-I93 VanDerWaalsContact O-N 3.15Å; L90-I93 PolarHBondContact O-N 3.02Å; S91-I93 VanDerWaalsContact C-N 3.26Å; S91-I93 PolarHBondContact O-N 3.08Å
94	Y	97.1	Very high	96.5	Very high	44 Å²	44	33.3 Å²	33.3	17%	0.173	20%	0.196	C	C	.	.	H	α-helix	trans	-120.9	-2.2	-168.6	-54.7	-72.2	0	0	0	114.1	V32 V67 L69 L90 E96 S97 A98	V32-Y94 HydrophobicContact CG2-CD1 4.25Å; V32-Y94 HydrophobicContact CG2-CG 3.97Å; V67-Y94 HydrophobicContact CB-CE1 4.37Å; V67-Y94 HydrophobicContact CG1-CD1 4.29Å; V67-Y94 HydrophobicContact CG1-CE1 3.6Å; V67-Y94 HydrophobicContact CG1-CE2 4.5Å; V67-Y94 HydrophobicContact CG2-CD1 4.29Å; V67-Y94 HydrophobicContact CG2-CE1 4.03Å; L69-Y94 HydrophobicContact CD1-CD2 4.2Å; L69-Y94 HydrophobicContact CD1-CE2 3.51Å; L69-Y94 HydrophobicContact CD2-CE2 4.36Å; L69-Y94 WeakPolarHBondContact CD2-OH 3.46Å; L90-Y94 HydrophobicContact CD2-CD2 4.23Å; L90-Y94 HydrophobicContact CD2-CE2 4.32Å; L90-Y94 WeakPolarHBondContact O-CB 3.34Å; L90-Y94 PolarHBondContact O-N 3.4Å; Y94-E96 VanDerWaalsContact C-N 3.25Å; Y94-E96 PolarHBondContact O-N 3.2Å; Y94-S97 PolarHBondContact O-N 3.31Å; Y94-S97 VanDerWaalsContact O-N 3.13Å; Y94-S97 PolarHBondContact O-OG 3.12Å; Y94-A98 WeakPolarHBondContact O-CB 3.4Å; Y94-A98 PolarHBondContact O-N 2.03Å
95	G	93.4	Very high	96.6	Very high	26 Å²	26	33.6 Å²	33.6	27%	0.268	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-28.3	-173.7	0	0	0	0	0	114.8	S91	S91-G95 VanDerWaalsContact O-CA 3.25Å; S91-G95 WeakPolarHBondContact O-CA 3.22Å; S91-G95 PolarHBondContact O-N 2.64Å
96	E	93.1	Very high	96.5	Very high	206 Å²	206	32.6 Å²	32.6	96%	0.963	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-22.7	177.4	-64.7	-172.9	172.7	0	0	113.7	Y94	Y94-E96 VanDerWaalsContact C-N 3.25Å; Y94-E96 PolarHBondContact O-N 3.2Å
97	S	94.8	Very high	96.3	Very high	67 Å²	67	33.4 Å²	33.4	47%	0.469	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.6	-22.3	-171.6	56.7	0	0	0	0	114	Y94	Y94-S97 PolarHBondContact O-N 3.31Å; Y94-S97 VanDerWaalsContact O-N 3.13Å; Y94-S97 PolarHBondContact O-OG 3.12Å
98	A	96.9	Very high	96.2	Very high	6 Å²	6	33.3 Å²	33.3	5%	0.05	19%	0.192	C	C	.	.			trans	-87.8	134.1	179.8	0	0	0	0	0	111.4	E30 V32 Y94 F101 A167	E30-A98 CarbonylContact O-C 3.5Å; E30-A98 WeakPolarHBondContact O-CA 3.45Å; V32-A98 HydrophobicContact CG2-CB 3.6Å; Y94-A98 WeakPolarHBondContact O-CB 3.4Å; Y94-A98 PolarHBondContact O-N 2.03Å; A98-F101 HydrophobicContact CB-CD2 4.47Å; A98-F101 HydrophobicContact CB-CE1 4.19Å; A98-F101 HydrophobicContact CB-CE2 3.72Å; A98-F101 HydrophobicContact CB-CZ 3.56Å; A98-A167 WeakPolarHBondContact O-CB 3.04Å
99	S	97.1	Very high	96.2	Very high	15 Å²	15	35.9 Å²	35.9	11%	0.105	20%	0.204	C	C	.	.	S	Bend	trans	-93.5	-28.2	166.3	-76.8	0	0	0	0	111.6	E30 A167	E30-S99 PolarHBondContact O-N 2.99Å; E30-S99 WeakPolarHBondContact OE2-CB 3.32Å; E30-S99 PolarHBondContact OE2-OG 2.56Å; S99-A167 PolarHBondContact O-N 3.29Å
100	W	98.2	Very high	96.1	Very high	3 Å²	3	33.2 Å²	33.2	1%	0.011	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	141.1	-176.6	-70.9	95.1	0	0	0	112.4	E30 L31 V32 L119 Y122 V124 W128 L130 A164 L165	E30-W100 PolarHBondContact O-N 3.5Å; L31-W100 HydrophobicContact CD1-CB 3.76Å; V32-W100 PolarHBondContact N-O 2.81Å; W100-L119 HydrophobicContact CB-CD1 4.06Å; W100-L119 HydrophobicContact CD2-CB 4.33Å; W100-L119 HydrophobicContact CD2-CD1 4.15Å; W100-L119 HydrophobicContact CD2-CD2 3.72Å; W100-L119 HydrophobicContact CD2-CG 4.26Å; W100-L119 HydrophobicContact CE3-CD2 3.71Å; W100-L119 HydrophobicContact CG-CB 4.48Å; W100-L119 HydrophobicContact CG-CD1 3.79Å; W100-L119 HydrophobicContact CG-CD2 4.27Å; W100-L119 HydrophobicContact CG-CG 4.39Å; W100-L119 HydrophobicContact CH2-CD2 4.31Å; W100-L119 HydrophobicContact CZ2-CB 4.4Å; W100-L119 HydrophobicContact CZ2-CD2 4.31Å; W100-L119 HydrophobicContact CZ3-CD2 4.02Å; W100-Y122 HydrophobicContact CH2-CG 4.42Å; W100-V124 HydrophobicContact CZ2-CG1 4.34Å; W100-W128 HydrophobicContact CH2-CB 3.78Å; W100-W128 HydrophobicContact CH2-CG 4.14Å; W100-W128 HydrophobicContact CZ3-CB 4Å; W100-L130 HydrophobicContact CE3-CD1 4.41Å; W100-L130 HydrophobicContact CH2-CD1 3.58Å; W100-L130 HydrophobicContact CH2-CG 4.46Å; W100-L130 HydrophobicContact CZ3-CD1 3.44Å; W100-L130 VanDerWaalsContact CZ3-CD1 3.44Å; W100-L130 HydrophobicContact CZ3-CG 4.16Å; W100-A164 HydrophobicContact CE3-CB 4.33Å; W100-L165 WeakPolarHBondContact CA-O 3.5Å
101	F	98.5	Very high	96.1	Very high	1 Å²	1	34.8 Å²	34.8	0%	0.004	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	117.3	169.7	-64.6	-95	0	0	0	109.1	V32 L90 A98 F103 A164 L165 H170	V32-F101 HydrophobicContact CB-CD1 3.76Å; V32-F101 HydrophobicContact CB-CE1 4Å; V32-F101 HydrophobicContact CB-CG 4.48Å; V32-F101 HydrophobicContact CG1-CD1 3.9Å; V32-F101 HydrophobicContact CG1-CE1 4.13Å; V32-F101 HydrophobicContact CG2-CD1 4.29Å; V32-F101 HydrophobicContact CG2-CE1 4.02Å; V32-F101 CarbonylContact O-C 3.59Å; V32-F101 WeakPolarHBondContact O-CA 3.38Å; L90-F101 HydrophobicContact CB-CE1 4.16Å; A98-F101 HydrophobicContact CB-CD2 4.47Å; A98-F101 HydrophobicContact CB-CE1 4.19Å; A98-F101 HydrophobicContact CB-CE2 3.72Å; A98-F101 HydrophobicContact CB-CZ 3.56Å; F101-F103 HydrophobicContact CB-CE2 3.86Å; F101-F103 HydrophobicContact CB-CZ 4.24Å; F101-A164 CarbonylContact O-C 3.52Å; F101-A164 WeakPolarHBondContact O-CA 3.23Å; F101-L165 PolarHBondContact N-O 3.06Å; F101-L165 PolarHBondContact O-N 2.86Å; F101-H170 HydrophobicContact CD2-CB 3.61Å; F101-H170 AromaticContact CD2-CG 3.57Å; F101-H170 AromaticContact CD2-ND1 3.82Å; F101-H170 HydrophobicContact CE2-CB 3.74Å; F101-H170 AromaticContact CE2-CD2 3.66Å; F101-H170 AromaticContact CE2-CG 3.52Å; F101-H170 HydrophobicContact CG-CB 4.42Å; F101-H170 AromaticContact CG-ND1 3.8Å; F101-H170 AromaticContact CZ-CD2 3.72Å; F101-H170 AromaticContact CZ-CG 3.96Å; F101-H170 AromaticContact CZ-NE2 3.93Å
102	L	98.6	Very high	96.1	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	130	176.8	176.4	73.9	0	0	0	109.6	L31 V32 I33 V34 V104 V110 L115 A164 F213	L31-L102 HydrophobicContact CD1-CB 4.21Å; V32-L102 PolarHBondContact O-N 2.77Å; I33-L102 CarbonylContact C-O 3.56Å; I33-L102 WeakPolarHBondContact CA-O 3.2Å; I33-L102 HydrophobicContact CD1-CD2 4.32Å; I33-L102 HydrophobicContact CG1-CB 4.32Å; I33-L102 HydrophobicContact CG1-CD2 4.08Å; I33-L102 HydrophobicContact CG2-CD2 4.04Å; I33-L102 HydrophobicContact CG2-CG 4.5Å; V34-L102 PolarHBondContact N-O 2.8Å; L102-V104 HydrophobicContact CD1-CG1 4.26Å; L102-V104 HydrophobicContact CD2-CG1 4.01Å; L102-V104 HydrophobicContact CG-CG1 3.95Å; L102-V110 HydrophobicContact CD2-CG1 4.09Å; L102-V110 HydrophobicContact CD2-CG2 4.04Å; L102-L115 HydrophobicContact CD1-CD1 4.47Å; L102-L115 HydrophobicContact CD2-CD2 3.71Å; L102-A164 HydrophobicContact CD1-CB 4.14Å; L102-F213 HydrophobicContact CD1-CE1 3.67Å; L102-F213 HydrophobicContact CD1-CZ 4.19Å
103	F	98.5	Very high	95.9	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	124.4	176.5	-60.1	-92.8	0	0	0	109.7	V34 I83 L87 L90 F101 G162 W163 L165	V34-F103 HydrophobicContact CB-CD1 3.77Å; V34-F103 HydrophobicContact CB-CE1 3.99Å; V34-F103 HydrophobicContact CG1-CD1 4.12Å; V34-F103 HydrophobicContact CG1-CE1 4.27Å; V34-F103 HydrophobicContact CG2-CD1 4.22Å; V34-F103 HydrophobicContact CG2-CE1 3.94Å; V34-F103 WeakPolarHBondContact O-CA 3.47Å; I83-F103 HydrophobicContact CD1-CD1 3.95Å; I83-F103 HydrophobicContact CD1-CE1 4.24Å; I83-F103 HydrophobicContact CG2-CD1 4.12Å; I83-F103 HydrophobicContact CG2-CE1 3.65Å; I83-F103 HydrophobicContact CG2-CZ 4.13Å; L87-F103 HydrophobicContact CD2-CZ 4.06Å; L90-F103 HydrophobicContact CD1-CE1 4.28Å; L90-F103 HydrophobicContact CD1-CZ 4.38Å; F101-F103 HydrophobicContact CB-CE2 3.86Å; F101-F103 HydrophobicContact CB-CZ 4.24Å; F103-G162 WeakPolarHBondContact O-CA 3.36Å; F103-W163 HydrophobicContact CB-CD2 3.93Å; F103-W163 HydrophobicContact CB-CE3 4.45Å; F103-W163 HydrophobicContact CB-CG 4.4Å; F103-W163 HydrophobicContact CB-CH2 4.26Å; F103-W163 HydrophobicContact CB-CZ2 3.68Å; F103-W163 HydrophobicContact CD1-CH2 4.2Å; F103-W163 HydrophobicContact CD1-CZ2 4.12Å; F103-W163 HydrophobicContact CD2-CD2 4.02Å; F103-W163 AromaticContact CD2-CE3 3.66Å; F103-W163 HydrophobicContact CD2-CE3 3.66Å; F103-W163 AromaticContact CD2-CH2 3.44Å; F103-W163 HydrophobicContact CD2-CH2 3.44Å; F103-W163 VanDerWaalsContact CD2-CH2 3.44Å; F103-W163 AromaticContact CD2-CZ2 3.78Å; F103-W163 HydrophobicContact CD2-CZ2 3.78Å; F103-W163 AromaticContact CD2-CZ3 3.38Å; F103-W163 HydrophobicContact CD2-CZ3 3.38Å; F103-W163 HydrophobicContact CE1-CH2 4.44Å; F103-W163 HydrophobicContact CE2-CE3 4.31Å; F103-W163 AromaticContact CE2-CH2 3.73Å; F103-W163 HydrophobicContact CE2-CH2 3.73Å; F103-W163 HydrophobicContact CE2-CZ2 4.46Å; F103-W163 AromaticContact CE2-CZ3 3.65Å; F103-W163 HydrophobicContact CE2-CZ3 3.65Å; F103-W163 HydrophobicContact CG-CD2 4.27Å; F103-W163 AromaticContact CG-CE2 3.88Å; F103-W163 HydrophobicContact CG-CE3 4.33Å; F103-W163 AromaticContact CG-CH2 3.7Å; F103-W163 HydrophobicContact CG-CH2 3.7Å; F103-W163 AromaticContact CG-CZ2 3.58Å; F103-W163 HydrophobicContact CG-CZ2 3.58Å; F103-W163 HydrophobicContact CG-CZ3 4.09Å; F103-W163 HydrophobicContact CZ-CH2 4.22Å; F103-W163 PolarHBondContact N-O 3.16Å; F103-W163 PolarHBondContact O-N 3.21Å; F103-L165 HydrophobicContact CE2-CD1 3.98Å; F103-L165 HydrophobicContact CE2-CG 4.15Å
104	V	97.8	Very high	95.9	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	151	-176.1	-72.4	0	0	0	0	111.1	I33 V34 I35 Q36 L102 T108 V110 T223	I33-V104 HydrophobicContact CG2-CG2 3.86Å; V34-V104 PolarHBondContact O-N 2.89Å; I35-V104 CarbonylContact C-O 3.6Å; I35-V104 WeakPolarHBondContact CA-O 3.45Å; I35-V104 HydrophobicContact CG1-CG2 4.13Å; Q36-V104 PolarHBondContact N-O 2.92Å; L102-V104 HydrophobicContact CD1-CG1 4.26Å; L102-V104 HydrophobicContact CD2-CG1 4.01Å; L102-V104 HydrophobicContact CG-CG1 3.95Å; V104-T108 HydrophobicContact CB-CG2 4.16Å; V104-T108 HydrophobicContact CG1-CG2 3.94Å; V104-V110 HydrophobicContact CG1-CG2 4.1Å; V104-V110 HydrophobicContact CG2-CG2 4.46Å; V104-T223 HydrophobicContact CG1-CG2 4.49Å
105	E	95.2	Very high	95.9	Very high	31 Å²	31	28.3 Å²	28.3	15%	0.145	15%	0.153	C	C	.	.			trans	-78.2	167.1	171.1	-62	-176	151.2	0	0	111.1	E107 T108 Y228	E105-E107 PolarHBondContact O-N 3.39Å; E105-T108 PolarHBondContact O-N 2.95Å; E105-T108 VanDerWaalsContact O-N 3.15Å; E105-Y228 WeakPolarHBondContact OE2-CE1 3.5Å; E105-Y228 PolarHBondContact OE2-OH 3.48Å
106	E	93.8	Very high	96	Very high	5 Å²	5	27.6 Å²	27.6	2%	0.023	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-28.9	-177.6	-48.8	173.3	152.2	0	0	111.4	I35 S37 Q38 H43 R46 R50	I35-E106 HydrophobicContact CG2-CB 4.5Å; I35-E106 HydrophobicContact CG2-CG 4.15Å; S37-E106 WeakPolarHBondContact CA-OE1 3.37Å; S37-E106 WeakPolarHBondContact CB-OE1 3.3Å; Q38-E106 PolarHBondContact N-OE1 2.97Å; Q38-E106 VanDerWaalsContact N-OE1 3.07Å; H43-E106 WeakPolarHBondContact CA-OE2 3.22Å; H43-E106 VanDerWaalsContact CB-OE1 3.3Å; H43-E106 WeakPolarHBondContact CB-OE1 3.33Å; H43-E106 IonicContact CE1-OE2 2.76Å; H43-E106 IonicContact CG-OE1 3.63Å; H43-E106 IonicContact CG-OE2 3.81Å; H43-E106 IonicContact ND1-OE1 2.77Å; H43-E106 IonicContact ND1-OE2 2.75Å; H43-E106 PolarHBondContact ND1-OE2 3.31Å; H43-E106 VanDerWaalsContact O-OE1 3.06Å; R46-E106 HydrophobicContact CB-CB 4.17Å; R50-E106 PolarHBondContact NE-O 3.44Å; R50-E106 PolarHBondContact NH2-O 2.94Å
107	E	91.4	Very high	96	Very high	18 Å²	18	24.2 Å²	24.2	8%	0.084	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-20.1	-177.3	-67.2	60.4	-147.4	0	0	112.6	R46 R50 E105 M109 F225 T226	R46-E107 IonicContact CZ-OE1 3.1Å; R46-E107 IonicContact NE-OE1 3.01Å; R46-E107 PolarHBondContact NE-OE1 3.31Å; R46-E107 IonicContact NH1-OE1 3.65Å; R46-E107 PolarHBondContact NH1-OE1 3Å; R46-E107 IonicContact NH2-OE1 3.63Å; R46-E107 PolarHBondContact NH2-OE1 3.26Å; R50-E107 PolarHBondContact NH2-O 3.07Å; E105-E107 PolarHBondContact O-N 3.39Å; E107-M109 PolarHBondContact O-N 3.19Å; E107-F225 HydrophobicContact CB-CD2 3.94Å; E107-F225 HydrophobicContact CB-CE2 3.41Å; E107-F225 VanDerWaalsContact CB-CE2 3.41Å; E107-F225 HydrophobicContact CB-CZ 4.09Å; E107-F225 HydrophobicContact CG-CE2 4.1Å; E107-F225 HydrophobicContact CG-CZ 4.4Å; E107-T226 PolarHBondContact O-OG1 2.97Å
108	T	94.5	Very high	96.1	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	10%	0.104	C	C	.	.			trans	-83.1	114.7	-175.3	-52.5	0	0	0	0	110.4	R50 V104 E105 A160 T223	R50-T108 WeakPolarHBondContact CD-O 3.31Å; R50-T108 PolarHBondContact NE-O 3.17Å; V104-T108 HydrophobicContact CB-CG2 4.16Å; V104-T108 HydrophobicContact CG1-CG2 3.94Å; E105-T108 PolarHBondContact O-N 2.95Å; E105-T108 VanDerWaalsContact O-N 3.15Å; T108-A160 WeakPolarHBondContact CG2-O 3.21Å; T108-A160 PolarHBondContact OG1-O 3.3Å; T108-T223 HydrophobicContact CG2-CG2 4.2Å
109	M	95.1	Very high	96.1	Very high	74 Å²	74	21.1 Å²	21.1	37%	0.365	10%	0.102	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	143.2	171.8	-55.3	-179.8	57.7	0	0	110.2	E107 T223 K224 T226	E107-M109 PolarHBondContact O-N 3.19Å; M109-T223 CarbonylContact O-C 3.53Å; M109-T223 WeakPolarHBondContact O-CA 3.29Å; M109-K224 HydrophobicContact CB-CB 4.27Å; M109-K224 WeakPolarHBondContact CB-O 3.15Å; M109-K224 PolarHBondContact N-O 2.94Å; M109-K224 PolarHBondContact O-N 3.27Å; M109-T226 HydrophobicContact CG-CG2 4.43Å; M109-T226 HydrophobicContact SD-CG2 4.23Å
110	V	96.3	Very high	96.1	Very high	7 Å²	7	26 Å²	26	4%	0.042	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	125	176.4	-176.1	0	0	0	0	109.9	I54 L102 V104 L112 L115	I54-V110 HydrophobicContact CD1-CG2 4.15Å; I54-V110 HydrophobicContact CG1-CB 4.5Å; L102-V110 HydrophobicContact CD2-CG1 4.09Å; L102-V110 HydrophobicContact CD2-CG2 4.04Å; V104-V110 HydrophobicContact CG1-CG2 4.1Å; V104-V110 HydrophobicContact CG2-CG2 4.46Å; V110-L112 HydrophobicContact CG1-CD2 3.94Å; V110-L112 HydrophobicContact CG1-CG 4.47Å; V110-L115 HydrophobicContact CG1-CD2 3.79Å
111	V	96.3	Very high	96	Very high	34 Å²	34	31.5 Å²	31.5	21%	0.206	14%	0.142	C	C	.	.			trans	-98.2	85.7	175.1	-172.1	0	0	0	0	108.4	H113 V114 L115 C221 A222	V111-H113 VanDerWaalsContact C-N 3.34Å; V111-H113 WeakPolarHBondContact CG1-CE1 3.22Å; V111-H113 PolarHBondContact O-N 2.83Å; V111-V114 HydrophobicContact CB-CB 4.4Å; V111-V114 HydrophobicContact CB-CG2 4.35Å; V111-V114 HydrophobicContact CG1-CB 4.17Å; V111-V114 HydrophobicContact CG1-CG2 3.67Å; V111-V114 PolarHBondContact O-N 2.83Å; V111-L115 PolarHBondContact O-N 2.84Å; V111-C221 WeakPolarHBondContact CB-O 3.26Å; V111-C221 WeakPolarHBondContact CG2-O 3.11Å; V111-A222 PolarHBondContact N-O 2.85Å
112	L	96.4	Very high	95.9	Very high	4 Å²	4	33.1 Å²	33.1	2%	0.021	15%	0.149	C	C	.	.	H	α-helix	trans	-51.3	-45.2	-167.8	-69.3	172.3	0	0	0	114.3	L28 L31 I33 I54 D57 A58 L61 V110 V114 L115 Q116	L28-L112 HydrophobicContact CD2-CB 4.32Å; L28-L112 HydrophobicContact CD2-CD2 4.18Å; L31-L112 HydrophobicContact CD2-CD2 4.45Å; I33-L112 HydrophobicContact CD1-CD2 4.05Å; I54-L112 HydrophobicContact CG2-CD2 4.42Å; D57-L112 HydrophobicContact CB-CD1 4.09Å; A58-L112 HydrophobicContact CB-CD1 3.63Å; L61-L112 HydrophobicContact CD1-CB 3.64Å; L61-L112 HydrophobicContact CD1-CD1 4.24Å; V110-L112 HydrophobicContact CG1-CD2 3.94Å; V110-L112 HydrophobicContact CG1-CG 4.47Å; L112-V114 VanDerWaalsContact C-N 3.3Å; L112-V114 PolarHBondContact O-N 2.5Å; L112-L115 WeakPolarHBondContact O-CB 3.31Å; L112-L115 PolarHBondContact O-N 3.2Å; L112-Q116 WeakPolarHBondContact O-CG 3.14Å; L112-Q116 PolarHBondContact O-N 2.88Å
113	H	94.3	Very high	95.7	Very high	91 Å²	91	35.5 Å²	35.5	42%	0.421	16%	0.164	S	C	.	.	H	α-helix	trans	-67.5	-28.7	-178.1	75.3	-89	0	0	0	113.5	L61 V111 K117	L61-H113 HydrophobicContact CD1-CB 4.38Å; L61-H113 HydrophobicContact CD2-CB 4.23Å; V111-H113 VanDerWaalsContact C-N 3.34Å; V111-H113 WeakPolarHBondContact CG1-CE1 3.22Å; V111-H113 PolarHBondContact O-N 2.83Å; H113-K117 WeakPolarHBondContact O-CG 3.05Å
114	V	96	Very high	95.3	Very high	7 Å²	7	36.1 Å²	36.1	4%	0.042	17%	0.168	C	C	.	.	H	α-helix	trans	-77.9	-44.3	173.9	-178.7	0	0	0	0	109.1	V111 L112 Q116 K117 V118 N220 A222	V111-V114 HydrophobicContact CB-CB 4.4Å; V111-V114 HydrophobicContact CB-CG2 4.35Å; V111-V114 HydrophobicContact CG1-CB 4.17Å; V111-V114 HydrophobicContact CG1-CG2 3.67Å; V111-V114 PolarHBondContact O-N 2.83Å; L112-V114 VanDerWaalsContact C-N 3.3Å; L112-V114 PolarHBondContact O-N 2.5Å; V114-Q116 VanDerWaalsContact C-N 3.33Å; V114-Q116 PolarHBondContact O-N 3.4Å; V114-K117 WeakPolarHBondContact O-CB 3Å; V114-K117 PolarHBondContact O-N 3.13Å; V114-K117 VanDerWaalsContact O-N 3.09Å; V114-V118 HydrophobicContact CG1-CG2 4.45Å; V114-V118 WeakPolarHBondContact O-CG2 3.17Å; V114-V118 PolarHBondContact O-N 3.44Å; V114-N220 WeakPolarHBondContact CG1-O 3.37Å; V114-A222 HydrophobicContact CB-CB 4.35Å; V114-A222 HydrophobicContact CG1-CB 3.99Å
115	L	97	Very high	95	Very high	0 Å²	0	43 Å²	43	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-55	-47.2	176.2	180	67.7	0	0	0	111.8	L31 L102 V110 V111 L112 K117 V118 L119 F213 A222	L31-L115 HydrophobicContact CD2-CD2 3.73Å; L102-L115 HydrophobicContact CD1-CD1 4.47Å; L102-L115 HydrophobicContact CD2-CD2 3.71Å; V110-L115 HydrophobicContact CG1-CD2 3.79Å; V111-L115 PolarHBondContact O-N 2.84Å; L112-L115 WeakPolarHBondContact O-CB 3.31Å; L112-L115 PolarHBondContact O-N 3.2Å; L115-K117 VanDerWaalsContact C-N 3.31Å; L115-K117 PolarHBondContact O-N 3.45Å; L115-V118 WeakPolarHBondContact O-CB 3.48Å; L115-V118 PolarHBondContact O-N 2.92Å; L115-V118 VanDerWaalsContact O-N 3.1Å; L115-L119 HydrophobicContact CD1-CD1 4.08Å; L115-L119 HydrophobicContact CD1-CD2 4.34Å; L115-L119 HydrophobicContact CD1-CG 4.04Å; L115-L119 HydrophobicContact CD2-CD1 4.41Å; L115-L119 HydrophobicContact CG-CD1 3.9Å; L115-L119 HydrophobicContact CG-CG 4.2Å; L115-L119 WeakPolarHBondContact O-CG 3.45Å; L115-L119 PolarHBondContact O-N 2.97Å; L115-F213 HydrophobicContact CD1-CZ 4.21Å; L115-A222 HydrophobicContact CB-CB 4.1Å; L115-A222 HydrophobicContact CD1-CB 4.26Å
116	Q	95.2	Very high	95	Very high	10 Å²	10	46.4 Å²	46.4	5%	0.047	22%	0.216	C	C	.	.	H	α-helix	trans	-60.4	-40	177.2	-71.6	177.2	-74.1	0	0	112.7	A26 L28 L112 V114 V118 L119 K120	A26-Q116 PolarHBondContact O-NE2 3.41Å; A26-Q116 VanDerWaalsContact O-NE2 3.13Å; L28-Q116 HydrophobicContact CD2-CG 3.63Å; L28-Q116 HydrophobicContact CG-CG 4.38Å; L112-Q116 WeakPolarHBondContact O-CG 3.14Å; L112-Q116 PolarHBondContact O-N 2.88Å; V114-Q116 VanDerWaalsContact C-N 3.33Å; V114-Q116 PolarHBondContact O-N 3.4Å; Q116-V118 VanDerWaalsContact C-N 3.29Å; Q116-V118 PolarHBondContact O-N 2.76Å; Q116-L119 PolarHBondContact O-N 3.38Å; Q116-K120 WeakPolarHBondContact O-CB 3.46Å; Q116-K120 VanDerWaalsContact O-CG 3.24Å; Q116-K120 WeakPolarHBondContact O-CG 3.42Å; Q116-K120 PolarHBondContact O-N 2.82Å
117	K	95.1	Very high	95.2	Very high	136 Å²	136	49.5 Å²	49.5	59%	0.591	23%	0.231	S	C	*	.	H	α-helix	trans	-62.5	-39.9	175.6	-72.3	174.5	-178.4	179.2	0	111.1	H113 V114 L115	H113-K117 WeakPolarHBondContact O-CG 3.05Å; V114-K117 WeakPolarHBondContact O-CB 3Å; V114-K117 PolarHBondContact O-N 3.13Å; V114-K117 VanDerWaalsContact O-N 3.09Å; L115-K117 VanDerWaalsContact C-N 3.31Å; L115-K117 PolarHBondContact O-N 3.45Å
118	V	96.6	Very high	95.6	Very high	3 Å²	3	51.2 Å²	51.2	2%	0.018	24%	0.236	C	C	.	.	H	α-helix	trans	-64	-52.1	177	163.9	0	0	0	0	111.1	V114 L115 Q116 K120 R121 Y122 V210 E212 F213 A222	V114-V118 HydrophobicContact CG1-CG2 4.45Å; V114-V118 WeakPolarHBondContact O-CG2 3.17Å; V114-V118 PolarHBondContact O-N 3.44Å; L115-V118 WeakPolarHBondContact O-CB 3.48Å; L115-V118 PolarHBondContact O-N 2.92Å; L115-V118 VanDerWaalsContact O-N 3.1Å; Q116-V118 VanDerWaalsContact C-N 3.29Å; Q116-V118 PolarHBondContact O-N 2.76Å; V118-K120 VanDerWaalsContact C-N 3.34Å; V118-K120 PolarHBondContact O-N 3.11Å; V118-R121 VanDerWaalsContact O-CB 3.31Å; V118-R121 WeakPolarHBondContact O-CB 3.49Å; V118-R121 WeakPolarHBondContact O-CG 3.39Å; V118-R121 PolarHBondContact O-N 2.89Å; V118-R121 VanDerWaalsContact O-N 3.16Å; V118-R121 PolarHBondContact O-NE 2.92Å; V118-Y122 WeakPolarHBondContact O-CD2 3.44Å; V118-Y122 WeakPolarHBondContact O-CE2 3.47Å; V118-V210 HydrophobicContact CG1-CG1 3.66Å; V118-E212 HydrophobicContact CG2-CB 3.59Å; V118-E212 HydrophobicContact CG2-CG 3.66Å; V118-F213 HydrophobicContact CG1-CE2 4.16Å; V118-A222 HydrophobicContact CG2-CB 4.4Å
119	L	97.1	Very high	95.8	Very high	4 Å²	4	51.2 Å²	51.2	2%	0.021	24%	0.236	C	C	.	.	H	α-helix	trans	-65.8	-34.2	-176	-64.4	-179.2	0	0	0	112.3	A26 L31 W100 L115 Q116 R121 Y122 L130 A164	A26-L119 HydrophobicContact CB-CB 3.78Å; L31-L119 HydrophobicContact CD1-CD1 4.07Å; W100-L119 HydrophobicContact CB-CD1 4.06Å; W100-L119 HydrophobicContact CD2-CB 4.33Å; W100-L119 HydrophobicContact CD2-CD1 4.15Å; W100-L119 HydrophobicContact CD2-CD2 3.72Å; W100-L119 HydrophobicContact CD2-CG 4.26Å; W100-L119 HydrophobicContact CE3-CD2 3.71Å; W100-L119 HydrophobicContact CG-CB 4.48Å; W100-L119 HydrophobicContact CG-CD1 3.79Å; W100-L119 HydrophobicContact CG-CD2 4.27Å; W100-L119 HydrophobicContact CG-CG 4.39Å; W100-L119 HydrophobicContact CH2-CD2 4.31Å; W100-L119 HydrophobicContact CZ2-CB 4.4Å; W100-L119 HydrophobicContact CZ2-CD2 4.31Å; W100-L119 HydrophobicContact CZ3-CD2 4.02Å; L115-L119 HydrophobicContact CD1-CD1 4.08Å; L115-L119 HydrophobicContact CD1-CD2 4.34Å; L115-L119 HydrophobicContact CD1-CG 4.04Å; L115-L119 HydrophobicContact CD2-CD1 4.41Å; L115-L119 HydrophobicContact CG-CD1 3.9Å; L115-L119 HydrophobicContact CG-CG 4.2Å; L115-L119 WeakPolarHBondContact O-CG 3.45Å; L115-L119 PolarHBondContact O-N 2.97Å; Q116-L119 PolarHBondContact O-N 3.38Å; L119-R121 PolarHBondContact O-N 3.07Å; L119-Y122 PolarHBondContact O-N 3.03Å; L119-Y122 VanDerWaalsContact O-N 3.09Å; L119-L130 HydrophobicContact CD2-CD1 3.95Å; L119-A164 HydrophobicContact CD2-CB 4.5Å
120	K	95.8	Very high	95.9	Very high	118 Å²	118	47.7 Å²	47.7	51%	0.513	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-14.1	174.7	-77.5	174.3	-175.3	-179.8	0	114.6	A26 Q116 V118 Y122	A26-K120 HydrophobicContact CB-CG 3.65Å; Q116-K120 WeakPolarHBondContact O-CB 3.46Å; Q116-K120 VanDerWaalsContact O-CG 3.24Å; Q116-K120 WeakPolarHBondContact O-CG 3.42Å; Q116-K120 PolarHBondContact O-N 2.82Å; V118-K120 VanDerWaalsContact C-N 3.34Å; V118-K120 PolarHBondContact O-N 3.11Å; K120-Y122 VanDerWaalsContact C-N 3.25Å
121	R	96.4	Very high	96	Very high	118 Å²	118	47.4 Å²	47.4	45%	0.445	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-17.1	176.6	-60.5	-174.7	-65.9	-162.5	-1.6	112.8	V118 L119 E212	V118-R121 VanDerWaalsContact O-CB 3.31Å; V118-R121 WeakPolarHBondContact O-CB 3.49Å; V118-R121 WeakPolarHBondContact O-CG 3.39Å; V118-R121 PolarHBondContact O-N 2.89Å; V118-R121 VanDerWaalsContact O-N 3.16Å; V118-R121 PolarHBondContact O-NE 2.92Å; L119-R121 PolarHBondContact O-N 3.07Å; R121-E212 IonicContact CZ-OE1 2.6Å; R121-E212 IonicContact CZ-OE2 3.52Å; R121-E212 IonicContact NH1-OE1 3.15Å; R121-E212 PolarHBondContact NH1-OE1 3.23Å; R121-E212 IonicContact NH1-OE2 2.64Å; R121-E212 VanDerWaalsContact NH2-CD 3.28Å; R121-E212 IonicContact NH2-OE1 3.49Å; R121-E212 PolarHBondContact NH2-OE1 3.11Å; R121-E212 IonicContact NH2-OE2 3.81Å; R121-E212 PolarHBondContact NH2-OE2 2.99Å
122	Y	96.5	Very high	95.9	Very high	35 Å²	35	48.1 Å²	48.1	14%	0.137	22%	0.218	C	C	.	.	S	Bend	trans	-118.1	125.3	-169.8	-58.7	-81.1	0	0	0	110.3	W100 V118 L119 K120 V124 W128 L130 T208 V210	W100-Y122 HydrophobicContact CH2-CG 4.42Å; V118-Y122 WeakPolarHBondContact O-CD2 3.44Å; V118-Y122 WeakPolarHBondContact O-CE2 3.47Å; L119-Y122 PolarHBondContact O-N 3.03Å; L119-Y122 VanDerWaalsContact O-N 3.09Å; K120-Y122 VanDerWaalsContact C-N 3.25Å; Y122-V124 PolarHBondContact O-N 2.88Å; Y122-W128 AromaticContact CD1-CD2 3.6Å; Y122-W128 HydrophobicContact CD1-CD2 3.6Å; Y122-W128 AromaticContact CD1-CE2 3.75Å; Y122-W128 AromaticContact CD1-CE3 3.61Å; Y122-W128 HydrophobicContact CD1-CE3 3.61Å; Y122-W128 HydrophobicContact CD1-CG 4.28Å; Y122-W128 AromaticContact CD1-CH2 3.94Å; Y122-W128 HydrophobicContact CD1-CH2 3.94Å; Y122-W128 AromaticContact CD1-CZ2 3.93Å; Y122-W128 HydrophobicContact CD1-CZ2 3.93Å; Y122-W128 AromaticContact CD1-CZ3 3.78Å; Y122-W128 HydrophobicContact CD1-CZ3 3.78Å; Y122-W128 HydrophobicContact CE1-CD2 4.46Å; Y122-W128 HydrophobicContact CE1-CE3 4.03Å; Y122-W128 HydrophobicContact CE1-CH2 4.37Å; Y122-W128 AromaticContact CE1-CZ3 3.99Å; Y122-W128 HydrophobicContact CE1-CZ3 3.99Å; Y122-W128 HydrophobicContact CG-CD2 4.18Å; Y122-W128 HydrophobicContact CG-CG 4.4Å; Y122-L130 HydrophobicContact CD1-CD2 4.14Å; Y122-L130 HydrophobicContact CD2-CD1 3.76Å; Y122-L130 HydrophobicContact CD2-CD2 4.23Å; Y122-L130 HydrophobicContact CE1-CD2 3.87Å; Y122-L130 HydrophobicContact CE2-CD1 3.94Å; Y122-L130 HydrophobicContact CE2-CD2 3.98Å; Y122-L130 HydrophobicContact CG-CD1 4.26Å; Y122-L130 HydrophobicContact CG-CD2 4.31Å; Y122-T208 HydrophobicContact CE1-CG2 4.17Å; Y122-V210 HydrophobicContact CE2-CG2 4.44Å
123	P	94	Very high	95.8	Very high	50 Å²	50	51.9 Å²	51.9	33%	0.325	23%	0.232	S	C	.	.			trans	-62.9	127.2	175.6	-21.8	33.3	0	0	0	111.5	Q125 E126 W128	P123-Q125 PolarHBondContact O-N 3.24Å; P123-E126 HydrophobicContact CB-CG 4.31Å; P123-E126 PolarHBondContact O-N 3.28Å; P123-W128 VanDerWaalsContact O-CD1 3.22Å; P123-W128 PolarHBondContact O-NE1 2.79Å; P123-W128 VanDerWaalsContact O-NE1 3.11Å
124	V	90.8	Very high	95.8	Very high	14 Å²	14	48 Å²	48	9%	0.085	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-18.6	-174.3	-59.8	0	0	0	0	113.8	W100 Y122 E126	W100-V124 HydrophobicContact CZ2-CG1 4.34Å; Y122-V124 PolarHBondContact O-N 2.88Å; V124-E126 VanDerWaalsContact C-N 3.27Å
125	Q	90.8	Very high	95.7	Very high	145 Å²	145	50.6 Å²	50.6	68%	0.678	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-15.8	176	-60.2	76.8	22.8	0	0	112.6	P123	P123-Q125 PolarHBondContact O-N 3.24Å
126	E	96.6	Very high	95.4	Very high	102 Å²	102	51 Å²	51	48%	0.477	23%	0.229	S	C	.	.	S	Bend	trans	-95.2	158.1	176.4	-69.3	175.9	-158.6	0	0	110.5	P123 V124 W128 S166	P123-E126 HydrophobicContact CB-CG 4.31Å; P123-E126 PolarHBondContact O-N 3.28Å; V124-E126 VanDerWaalsContact C-N 3.27Å; E126-W128 PolarHBondContact O-N 3.36Å; E126-W128 VanDerWaalsContact OE2-CZ2 3.3Å; E126-W128 WeakPolarHBondContact OE2-CZ2 3.38Å; E126-S166 VanDerWaalsContact O-CB 3.31Å; E126-S166 WeakPolarHBondContact O-CB 3.38Å; E126-S166 PolarHBondContact O-OG 2.82Å; E126-S166 VanDerWaalsContact O-OG 3.08Å
127	E	98.1	Very high	95.1	Very high	70 Å²	70	56.2 Å²	56.2	33%	0.327	26%	0.256	S	S	.	.			trans	-84.6	108.9	-179.9	-64.2	-178.3	177.8	0	0	111.7	A168 L169 R172 P205	E127-A168 HydrophobicContact CG-CB 4.41Å; E127-L169 HydrophobicContact CB-CB 3.95Å; E127-L169 HydrophobicContact CB-CD1 4.27Å; E127-L169 HydrophobicContact CG-CB 4.21Å; E127-L169 HydrophobicContact CG-CD1 4.45Å; E127-R172 VanDerWaalsContact OE1-CD 3.26Å; E127-R172 WeakPolarHBondContact OE1-CD 3.34Å; E127-R172 IonicContact OE1-CZ 3.5Å; E127-R172 IonicContact OE1-NE 3.12Å; E127-R172 IonicContact OE1-NH1 3.98Å; E127-R172 PolarHBondContact OE1-NH1 2.98Å; E127-R172 VanDerWaalsContact OE1-NH1 3.15Å; E127-R172 IonicContact OE2-CZ 2.56Å; E127-R172 IonicContact OE2-NE 2.82Å; E127-R172 IonicContact OE2-NH1 3.79Å; E127-R172 PolarHBondContact OE2-NH1 3.15Å; E127-R172 IonicContact OE2-NH2 3.38Å; E127-R172 PolarHBondContact OE2-NH2 3.3Å; E127-P205 HydrophobicContact CB-CG 4.16Å; E127-P205 WeakPolarHBondContact OE2-CD 3.5Å
128	W	98.4	Very high	94.8	Very high	53 Å²	53	52.8 Å²	52.8	20%	0.201	24%	0.242	C	C	.	.			trans	-117.2	126.6	178.7	-65.7	100.9	0	0	0	112.1	W100 Y122 P123 E126 L130 L165 S166 L169 T208	W100-W128 HydrophobicContact CH2-CB 3.78Å; W100-W128 HydrophobicContact CH2-CG 4.14Å; W100-W128 HydrophobicContact CZ3-CB 4Å; Y122-W128 AromaticContact CD1-CD2 3.6Å; Y122-W128 HydrophobicContact CD1-CD2 3.6Å; Y122-W128 AromaticContact CD1-CE2 3.75Å; Y122-W128 AromaticContact CD1-CE3 3.61Å; Y122-W128 HydrophobicContact CD1-CE3 3.61Å; Y122-W128 HydrophobicContact CD1-CG 4.28Å; Y122-W128 AromaticContact CD1-CH2 3.94Å; Y122-W128 HydrophobicContact CD1-CH2 3.94Å; Y122-W128 AromaticContact CD1-CZ2 3.93Å; Y122-W128 HydrophobicContact CD1-CZ2 3.93Å; Y122-W128 AromaticContact CD1-CZ3 3.78Å; Y122-W128 HydrophobicContact CD1-CZ3 3.78Å; Y122-W128 HydrophobicContact CE1-CD2 4.46Å; Y122-W128 HydrophobicContact CE1-CE3 4.03Å; Y122-W128 HydrophobicContact CE1-CH2 4.37Å; Y122-W128 AromaticContact CE1-CZ3 3.99Å; Y122-W128 HydrophobicContact CE1-CZ3 3.99Å; Y122-W128 HydrophobicContact CG-CD2 4.18Å; Y122-W128 HydrophobicContact CG-CG 4.4Å; P123-W128 VanDerWaalsContact O-CD1 3.22Å; P123-W128 PolarHBondContact O-NE1 2.79Å; P123-W128 VanDerWaalsContact O-NE1 3.11Å; E126-W128 PolarHBondContact O-N 3.36Å; E126-W128 VanDerWaalsContact OE2-CZ2 3.3Å; E126-W128 WeakPolarHBondContact OE2-CZ2 3.38Å; W128-L130 HydrophobicContact CB-CD2 4.27Å; W128-L130 HydrophobicContact CB-CG 4.2Å; W128-L130 HydrophobicContact CE3-CD2 4.24Å; W128-L165 WeakPolarHBondContact O-CA 3.19Å; W128-S166 PolarHBondContact N-OG 3.3Å; W128-S166 PolarHBondContact O-N 3.21Å; W128-L169 WeakPolarHBondContact O-CD2 3.29Å; W128-T208 HydrophobicContact CE3-CG2 4.48Å; W128-T208 HydrophobicContact CZ3-CG2 4.32Å
129	F	98.6	Very high	94.5	Very high	1 Å²	1	55.2 Å²	55.2	0%	0.004	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	107.9	165.2	179.9	-154.8	0	0	0	108.5	P157 W163 L165 L169 I194 A195 I198 L207 T208	F129-P157 HydrophobicContact CE2-CG 4.04Å; F129-P157 HydrophobicContact CZ-CB 4.48Å; F129-P157 HydrophobicContact CZ-CG 3.67Å; F129-W163 HydrophobicContact CD2-CE3 4.2Å; F129-W163 HydrophobicContact CE2-CB 4.39Å; F129-W163 HydrophobicContact CE2-CD2 4.17Å; F129-W163 AromaticContact CE2-CE3 3.6Å; F129-W163 HydrophobicContact CE2-CE3 3.6Å; F129-W163 HydrophobicContact CE2-CZ3 4.2Å; F129-L165 HydrophobicContact CB-CD2 4.3Å; F129-L165 HydrophobicContact CD2-CD2 3.62Å; F129-L165 HydrophobicContact CE2-CD2 4.28Å; F129-L165 HydrophobicContact CG-CD2 4.22Å; F129-L169 HydrophobicContact CB-CD2 3.79Å; F129-I194 HydrophobicContact CZ-CG2 4.39Å; F129-A195 HydrophobicContact CE1-CB 3.94Å; F129-A195 HydrophobicContact CZ-CB 4.37Å; F129-I198 HydrophobicContact CB-CG2 4.24Å; F129-I198 HydrophobicContact CD1-CB 4.37Å; F129-I198 HydrophobicContact CD1-CD1 3.88Å; F129-I198 HydrophobicContact CD1-CG2 3.91Å; F129-I198 HydrophobicContact CD2-CD1 3.92Å; F129-I198 HydrophobicContact CE1-CD1 3.85Å; F129-I198 HydrophobicContact CE2-CD1 3.89Å; F129-I198 HydrophobicContact CG-CD1 3.9Å; F129-I198 HydrophobicContact CG-CG2 4.27Å; F129-I198 HydrophobicContact CZ-CD1 3.82Å; F129-L207 HydrophobicContact CD1-CB 3.86Å; F129-L207 HydrophobicContact CD1-CD1 3.86Å; F129-L207 HydrophobicContact CD1-CG 4.5Å; F129-L207 HydrophobicContact CD2-CD1 3.85Å; F129-L207 HydrophobicContact CE1-CB 3.91Å; F129-L207 HydrophobicContact CE1-CD1 3.82Å; F129-L207 HydrophobicContact CE1-CG 4.44Å; F129-L207 HydrophobicContact CE2-CD1 3.81Å; F129-L207 HydrophobicContact CG-CD1 3.89Å; F129-L207 HydrophobicContact CZ-CD1 3.82Å; F129-T208 WeakPolarHBondContact O-CB 3.23Å; F129-T208 PolarHBondContact O-N 3.31Å
130	L	98.6	Very high	94	Very high	0 Å²	0	55 Å²	55	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	144.2	-171.9	-55.6	176.7	0	0	0	111.3	W100 L119 Y122 W128 W163 A164 T208 V210 F213	W100-L130 HydrophobicContact CE3-CD1 4.41Å; W100-L130 HydrophobicContact CH2-CD1 3.58Å; W100-L130 HydrophobicContact CH2-CG 4.46Å; W100-L130 HydrophobicContact CZ3-CD1 3.44Å; W100-L130 VanDerWaalsContact CZ3-CD1 3.44Å; W100-L130 HydrophobicContact CZ3-CG 4.16Å; L119-L130 HydrophobicContact CD2-CD1 3.95Å; Y122-L130 HydrophobicContact CD1-CD2 4.14Å; Y122-L130 HydrophobicContact CD2-CD1 3.76Å; Y122-L130 HydrophobicContact CD2-CD2 4.23Å; Y122-L130 HydrophobicContact CE1-CD2 3.87Å; Y122-L130 HydrophobicContact CE2-CD1 3.94Å; Y122-L130 HydrophobicContact CE2-CD2 3.98Å; Y122-L130 HydrophobicContact CG-CD1 4.26Å; Y122-L130 HydrophobicContact CG-CD2 4.31Å; W128-L130 HydrophobicContact CB-CD2 4.27Å; W128-L130 HydrophobicContact CB-CG 4.2Å; W128-L130 HydrophobicContact CE3-CD2 4.24Å; L130-W163 CarbonylContact O-C 3.57Å; L130-W163 WeakPolarHBondContact O-CA 3.5Å; L130-W163 VanDerWaalsContact O-CB 3.23Å; L130-W163 WeakPolarHBondContact O-CB 3.13Å; L130-A164 HydrophobicContact CB-CB 4.39Å; L130-A164 PolarHBondContact N-O 3.27Å; L130-A164 PolarHBondContact O-N 3.14Å; L130-T208 HydrophobicContact CD2-CG2 3.9Å; L130-V210 HydrophobicContact CB-CG2 3.94Å; L130-V210 HydrophobicContact CD2-CG2 3.73Å; L130-V210 HydrophobicContact CG-CG2 4.3Å; L130-F213 HydrophobicContact CB-CE2 4.36Å
131	G	97.3	Very high	93.7	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	171.2	-178.8	171.5	0	0	0	0	0	112.2	T208 T209 V210	G131-T208 PolarHBondContact N-O 3.08Å; G131-T209 CarbonylContact O-C 3.58Å; G131-T209 VanDerWaalsContact O-CA 3.32Å; G131-T209 WeakPolarHBondContact O-CA 3.48Å; G131-V210 PolarHBondContact O-N 3.3Å
132	Q	95.2	Very high	93.3	Very high	50 Å²	50	46.9 Å²	46.9	23%	0.234	23%	0.227	C	C	.	.			trans	-80	125.8	169.3	176.3	53.1	40.8	0	0	109.1	P157 D158 A161 F213	Q132-P157 CarbonylContact O-C 3.56Å; Q132-P157 WeakPolarHBondContact O-CA 3.33Å; Q132-D158 HydrophobicContact CB-CB 4.01Å; Q132-D158 HydrophobicContact CG-CB 4.11Å; Q132-D158 PolarHBondContact O-N 2.78Å; Q132-A161 HydrophobicContact CB-CB 3.73Å; Q132-F213 HydrophobicContact CB-CB 4.19Å; Q132-F213 WeakPolarHBondContact CB-O 3.5Å
133	R	94.4	Very high	93	Very high	82 Å²	82	45.5 Å²	45.5	31%	0.309	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	131.3	-176.9	177.2	179.2	-176.9	-121.3	-5.6	111.7	T152 F154 L207 T209	R133-T152 PolarHBondContact NH2-O 3.19Å; R133-F154 PolarHBondContact NH2-O 2.77Å; R133-L207 HydrophobicContact CB-CD2 3.92Å; R133-L207 HydrophobicContact CG-CD2 4.29Å; R133-T209 HydrophobicContact CB-CG2 3.93Å; R133-T209 WeakPolarHBondContact CB-OG1 3.45Å
134	L	93.6	Very high	92.8	Very high	11 Å²	11	48.9 Å²	48.9	6%	0.058	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	161.4	159.9	-56.1	-173.9	0	0	0	109.9	G155 Y156 D158 A422 T424 R425	L134-G155 VanDerWaalsContact O-CA 3.25Å; L134-G155 WeakPolarHBondContact O-CA 2.99Å; L134-Y156 HydrophobicContact CB-CD2 3.78Å; L134-Y156 HydrophobicContact CB-CE2 3.4Å; L134-Y156 VanDerWaalsContact CB-CE2 3.4Å; L134-Y156 HydrophobicContact CD1-CD2 4.38Å; L134-Y156 HydrophobicContact CD1-CE2 3.91Å; L134-Y156 HydrophobicContact CG-CE2 4.27Å; L134-Y156 PolarHBondContact N-O 2.76Å; L134-Y156 PolarHBondContact O-N 2.99Å; L134-Y156 VanDerWaalsContact O-N 3.09Å; L134-D158 HydrophobicContact CD1-CB 3.81Å; L134-D158 HydrophobicContact CD2-CB 3.89Å; L134-D158 HydrophobicContact CG-CB 3.7Å; L134-A422 HydrophobicContact CB-CB 4.37Å; L134-T424 WeakPolarHBondContact CD2-OG1 3.24Å; L134-R425 HydrophobicContact CD1-CG 3.31Å
135	H	93.2	Very high	92.7	Very high	61 Å²	61	54.1 Å²	54.1	28%	0.282	25%	0.252	S	S	.	.			trans	-152.2	162.9	171.6	64.7	82.6	0	0	0	109	N137 F154 A422	H135-N137 PolarHBondContact CE1-OD1 2.92Å; H135-F154 VanDerWaalsContact CB-O 3.32Å; H135-F154 WeakPolarHBondContact CB-O 3.44Å; H135-A422 VanDerWaalsContact O-CB 3.31Å; H135-A422 WeakPolarHBondContact O-CB 3.19Å
136	D	91.4	Very high	92.3	Very high	9 Å²	9	48.5 Å²	48.5	5%	0.048	23%	0.23	C	C	.	.			trans	-79.4	148	172.6	-64.6	-13.7	0	0	0	110.2	K138 H143 P151 Y156	D136-K138 WeakPolarHBondContact CB-O 3.27Å; D136-H143 IonicContact OD1-CE1 3.29Å; D136-H143 PolarHBondContact OD1-CE1 2.85Å; D136-H143 IonicContact OD1-ND1 3.98Å; D136-H143 PolarHBondContact OD1-ND1 3.05Å; D136-H143 IonicContact OD2-CE1 2.92Å; D136-H143 IonicContact OD2-CG 3.6Å; D136-H143 IonicContact OD2-ND1 3.76Å; D136-H143 PolarHBondContact OD2-ND1 3.33Å; D136-P151 HydrophobicContact CB-CB 3.8Å; D136-P151 CarbonylContact O-C 3.57Å; D136-Y156 WeakPolarHBondContact OD1-CE1 3.44Å; D136-Y156 PolarHBondContact OD1-OH 3.45Å
137	N	88.6	Confident	92	Very high	118 Å²	118	46.3 Å²	46.3	63%	0.631	22%	0.219	S	C	*	.	S	Bend	trans	-94	-17.6	173.8	-66.6	-41.1	0	0	0	112.2	H135	H135-N137 PolarHBondContact CE1-OD1 2.92Å
138	K	89.1	Confident	91.7	Very high	65 Å²	65	46.1 Å²	46.1	28%	0.283	23%	0.226	S	C	.	.	S	Bend	trans	-151.2	162.4	-179.6	70.2	179.5	-165.3	178.6	0	109.4	D136 S140 P151 D419 D420	D136-K138 WeakPolarHBondContact CB-O 3.27Å; K138-S140 PolarHBondContact O-N 3.35Å; K138-S140 VanDerWaalsContact O-N 3.09Å; K138-P151 VanDerWaalsContact C-CG 3.48Å; K138-D419 HydrophobicContact CD-CB 4.27Å; K138-D419 VanDerWaalsContact CE-CB 3.46Å; K138-D419 WeakPolarHBondContact CE-O 3.38Å; K138-D419 IonicContact NZ-OD2 3.08Å; K138-D420 VanDerWaalsContact CE-OD1 3.31Å; K138-D420 WeakPolarHBondContact CE-OD1 2.93Å; K138-D420 IonicContact NZ-OD1 2.72Å; K138-D420 PolarHBondContact NZ-OD1 3.02Å
139	P	89.4	Confident	91.4	Very high	53 Å²	53	52.9 Å²	52.9	34%	0.344	26%	0.26	S	S	.	.			trans	-56.1	119.3	173.7	-24.1	35.4	0	0	0	110.2	Y145 S148 P151	P139-Y145 HydrophobicContact CB-CD1 3.75Å; P139-S148 WeakPolarHBondContact CG-O 3.48Å; P139-P151 HydrophobicContact CG-CG 4.01Å
140	S	88	Confident	91.1	Very high	1 Å²	1	56.4 Å²	56.4	1%	0.007	28%	0.278	C	S	.	.			trans	-107.4	136.6	-174	-177.8	0	0	0	0	111.9	K138 V142 H143 H144 Y145 D420	K138-S140 PolarHBondContact O-N 3.35Å; K138-S140 VanDerWaalsContact O-N 3.09Å; S140-V142 VanDerWaalsContact C-N 3.32Å; S140-V142 WeakPolarHBondContact OG-CG2 3.5Å; S140-V142 PolarHBondContact OG-N 3.11Å; S140-H143 CarbonylContact O-C 3.44Å; S140-H143 PolarHBondContact O-N 3.39Å; S140-H144 PolarHBondContact O-N 3.27Å; S140-Y145 PolarHBondContact O-N 2.95Å; S140-D420 PolarHBondContact OG-O 2.95Å
141	I	88.2	Confident	90.8	Very high	58 Å²	58	57.2 Å²	57.2	30%	0.297	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-69	-31.3	175.7	-163.9	173	0	0	0	112.3	H143 H144 Y145 A416 D420 K436	I141-H143 PolarHBondContact O-N 3.4Å; I141-H144 PolarHBondContact O-N 3.47Å; I141-Y145 HydrophobicContact CB-CE1 4.45Å; I141-Y145 HydrophobicContact CB-CE2 4.44Å; I141-Y145 HydrophobicContact CG1-CE2 4.15Å; I141-A416 HydrophobicContact CG2-CB 4.26Å; I141-D420 WeakPolarHBondContact CG2-OD2 3.14Å; I141-K436 VanDerWaalsContact CD1-NZ 3.28Å
142	V	89	Confident	90.5	Very high	6 Å²	6	60.4 Å²	60.4	4%	0.036	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-68.8	-17.3	177.9	-61.2	0	0	0	0	112.1	S140 I188 A416 D420 Y421	S140-V142 VanDerWaalsContact C-N 3.32Å; S140-V142 WeakPolarHBondContact OG-CG2 3.5Å; S140-V142 PolarHBondContact OG-N 3.11Å; V142-I188 HydrophobicContact CB-CG2 3.98Å; V142-I188 HydrophobicContact CG1-CG2 4.47Å; V142-I188 VanDerWaalsContact O-CG2 3.3Å; V142-I188 WeakPolarHBondContact O-CG2 3.25Å; V142-A416 HydrophobicContact CG1-CB 3.85Å; V142-D420 WeakPolarHBondContact CG2-O 3.43Å; V142-Y421 HydrophobicContact CG1-CE1 4.22Å
143	H	90.7	Very high	90.4	Very high	7 Å²	7	60.6 Å²	60.6	3%	0.032	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-109	21.1	172.1	-58.3	151.2	0	0	0	112.9	D136 S140 I141 Y145 A146 Y156 D189 H192	D136-H143 IonicContact OD1-CE1 3.29Å; D136-H143 PolarHBondContact OD1-CE1 2.85Å; D136-H143 IonicContact OD1-ND1 3.98Å; D136-H143 PolarHBondContact OD1-ND1 3.05Å; D136-H143 IonicContact OD2-CE1 2.92Å; D136-H143 IonicContact OD2-CG 3.6Å; D136-H143 IonicContact OD2-ND1 3.76Å; D136-H143 PolarHBondContact OD2-ND1 3.33Å; S140-H143 CarbonylContact O-C 3.44Å; S140-H143 PolarHBondContact O-N 3.39Å; I141-H143 PolarHBondContact O-N 3.4Å; H143-Y145 PolarHBondContact O-N 2.7Å; H143-A146 WeakPolarHBondContact O-CB 3.42Å; H143-A146 PolarHBondContact O-N 3.08Å; H143-Y156 AromaticContact CE1-CE1 3.72Å; H143-Y156 AromaticContact CE1-CZ 3.6Å; H143-Y156 PolarHBondContact CE1-OH 2.97Å; H143-D189 IonicContact CD2-OD2 2.85Å; H143-D189 VanDerWaalsContact NE2-CG 3.29Å; H143-D189 IonicContact NE2-OD2 2.76Å; H143-D189 PolarHBondContact NE2-OD2 2.79Å; H143-H192 AromaticContact CD2-CD2 3.61Å; H143-H192 AromaticContact CD2-CG 3.36Å; H143-H192 AromaticContact CD2-ND1 3.8Å; H143-H192 AromaticContact CE1-CD2 3.64Å; H143-H192 AromaticContact CG-CD2 3.45Å; H143-H192 VanDerWaalsContact CG-CD2 3.45Å; H143-H192 AromaticContact CG-CE1 3.94Å; H143-H192 AromaticContact CG-CG 3.65Å; H143-H192 AromaticContact CG-ND1 3.93Å; H143-H192 AromaticContact CG-NE2 3.7Å; H143-H192 AromaticContact ND1-CD2 3.45Å; H143-H192 PolarHBondContact ND1-CD2 2.83Å; H143-H192 AromaticContact ND1-NE2 3.89Å; H143-H192 WeakPolarHBondContact NE2-CB 3.33Å; H143-H192 AromaticContact NE2-CD2 3.73Å; H143-H192 AromaticContact NE2-CG 3.62Å
144	H	89.1	Confident	90.5	Very high	120 Å²	120	57.3 Å²	57.3	56%	0.556	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	52	31.8	178.8	-56.8	139.7	0	0	0	114.4	S140 I141 A146 I188	S140-H144 PolarHBondContact O-N 3.27Å; I141-H144 PolarHBondContact O-N 3.47Å; H144-A146 PolarHBondContact O-N 2.93Å; H144-I188 WeakPolarHBondContact NE2-CD1 3.41Å
145	Y	87.4	Confident	90.5	Very high	124 Å²	124	57.3 Å²	57.3	49%	0.486	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.8	25.2	-175.6	-50.5	-75.9	0	0	0	114	P139 S140 I141 H143 F147 S148	P139-Y145 HydrophobicContact CB-CD1 3.75Å; S140-Y145 PolarHBondContact O-N 2.95Å; I141-Y145 HydrophobicContact CB-CE1 4.45Å; I141-Y145 HydrophobicContact CB-CE2 4.44Å; I141-Y145 HydrophobicContact CG1-CE2 4.15Å; H143-Y145 PolarHBondContact O-N 2.7Å; Y145-F147 PolarHBondContact O-N 3.47Å; Y145-S148 VanDerWaalsContact O-CB 3.27Å; Y145-S148 WeakPolarHBondContact O-CB 3.41Å; Y145-S148 PolarHBondContact O-N 2.82Å; Y145-S148 PolarHBondContact O-OG 3.34Å
146	A	84.1	Confident	90.7	Very high	27 Å²	27	54.5 Å²	54.5	22%	0.223	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	138.5	168.9	0	0	0	0	0	109.5	H143 H144 S148	H143-A146 WeakPolarHBondContact O-CB 3.42Å; H143-A146 PolarHBondContact O-N 3.08Å; H144-A146 PolarHBondContact O-N 2.93Å; A146-S148 PolarHBondContact O-N 3.16Å
147	F	90.4	Very high	90.9	Very high	56 Å²	56	54.1 Å²	54.1	25%	0.246	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.3	32.1	-177.9	-47.1	-81.4	0	0	0	114	Y145 E149 D150 P151 F154 L196 W199	Y145-F147 PolarHBondContact O-N 3.47Å; F147-E149 PolarHBondContact O-N 3.32Å; F147-E149 VanDerWaalsContact O-N 3.09Å; F147-D150 CarbonylContact O-C 3.36Å; F147-D150 PolarHBondContact O-N 2.83Å; F147-P151 WeakPolarHBondContact O-CA 3.34Å; F147-P151 WeakPolarHBondContact O-CD 3.1Å; F147-F154 HydrophobicContact CB-CB 4.48Å; F147-F154 HydrophobicContact CD1-CB 4.04Å; F147-F154 HydrophobicContact CD2-CB 3.4Å; F147-F154 HydrophobicContact CD2-CD1 4.01Å; F147-F154 HydrophobicContact CD2-CD2 4.37Å; F147-F154 AromaticContact CD2-CG 3.69Å; F147-F154 HydrophobicContact CD2-CG 3.69Å; F147-F154 HydrophobicContact CE1-CB 4.1Å; F147-F154 AromaticContact CE1-CD2 3.97Å; F147-F154 HydrophobicContact CE1-CD2 3.97Å; F147-F154 HydrophobicContact CE1-CG 4.2Å; F147-F154 HydrophobicContact CE2-CB 3.46Å; F147-F154 VanDerWaalsContact CE2-CB 3.46Å; F147-F154 AromaticContact CE2-CD1 3.47Å; F147-F154 HydrophobicContact CE2-CD1 3.47Å; F147-F154 VanDerWaalsContact CE2-CD1 3.47Å; F147-F154 AromaticContact CE2-CD2 3.54Å; F147-F154 HydrophobicContact CE2-CD2 3.54Å; F147-F154 HydrophobicContact CE2-CE1 4.05Å; F147-F154 HydrophobicContact CE2-CE2 4.12Å; F147-F154 AromaticContact CE2-CG 3.18Å; F147-F154 HydrophobicContact CE2-CG 3.18Å; F147-F154 HydrophobicContact CE2-CZ 4.34Å; F147-F154 HydrophobicContact CG-CB 3.7Å; F147-F154 HydrophobicContact CG-CG 4.37Å; F147-F154 HydrophobicContact CZ-CB 3.83Å; F147-F154 HydrophobicContact CZ-CD1 4.15Å; F147-F154 AromaticContact CZ-CD2 3.3Å; F147-F154 HydrophobicContact CZ-CD2 3.3Å; F147-F154 AromaticContact CZ-CE2 3.83Å; F147-F154 HydrophobicContact CZ-CE2 3.83Å; F147-F154 AromaticContact CZ-CG 3.49Å; F147-F154 HydrophobicContact CZ-CG 3.49Å; F147-F154 VanDerWaalsContact CZ-CG 3.49Å; F147-F154 HydrophobicContact CZ-CZ 4.44Å; F147-L196 HydrophobicContact CE2-CD2 3.74Å; F147-L196 HydrophobicContact CZ-CD2 3.89Å; F147-W199 HydrophobicContact CE1-CH2 4.13Å; F147-W199 HydrophobicContact CE1-CZ3 4.08Å; F147-W199 HydrophobicContact CZ-CE3 4.2Å; F147-W199 HydrophobicContact CZ-CH2 4.35Å; F147-W199 AromaticContact CZ-CZ3 3.85Å; F147-W199 HydrophobicContact CZ-CZ3 3.85Å
148	S	90.6	Very high	91.2	Very high	66 Å²	66	48.5 Å²	48.5	46%	0.462	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-25.5	-177.2	51.1	0	0	0	0	115.6	P139 Y145 A146	P139-S148 WeakPolarHBondContact CG-O 3.48Å; Y145-S148 VanDerWaalsContact O-CB 3.27Å; Y145-S148 WeakPolarHBondContact O-CB 3.41Å; Y145-S148 PolarHBondContact O-N 2.82Å; Y145-S148 PolarHBondContact O-OG 3.34Å; A146-S148 PolarHBondContact O-N 3.16Å
149	E	92.5	Very high	91.3	Very high	196 Å²	196	46.2 Å²	46.2	92%	0.916	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-33.9	175.6	-62.9	-174.7	166.9	0	0	112.8	F147	F147-E149 PolarHBondContact O-N 3.32Å; F147-E149 VanDerWaalsContact O-N 3.09Å
150	D	93.1	Very high	91.5	Very high	74 Å²	74	43.9 Å²	43.9	40%	0.396	23%	0.233	S	C	.	.			trans	-147.7	85	174.5	-180	5.3	0	0	0	109.7	F147 T152 S153	F147-D150 CarbonylContact O-C 3.36Å; F147-D150 PolarHBondContact O-N 2.83Å; D150-T152 PolarHBondContact O-N 3.38Å; D150-T152 VanDerWaalsContact O-N 3.07Å; D150-T152 PolarHBondContact OD1-N 2.89Å; D150-T152 VanDerWaalsContact OD1-N 3.13Å; D150-T152 PolarHBondContact OD1-OG1 3.28Å; D150-S153 VanDerWaalsContact O-CB 3.24Å; D150-S153 WeakPolarHBondContact O-CB 3.48Å; D150-S153 PolarHBondContact O-N 3.04Å; D150-S153 PolarHBondContact O-OG 3.11Å; D150-S153 PolarHBondContact OD1-N 3.26Å; D150-S153 WeakPolarHBondContact OD2-CB 3Å
151	P	90.6	Very high	91.8	Very high	18 Å²	18	43.8 Å²	43.8	12%	0.117	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-60.7	-21	-178.7	-25.1	34.7	0	0	0	113.2	D136 K138 P139 F147 S153	D136-P151 HydrophobicContact CB-CB 3.8Å; D136-P151 CarbonylContact O-C 3.57Å; K138-P151 VanDerWaalsContact C-CG 3.48Å; P139-P151 HydrophobicContact CG-CG 4.01Å; F147-P151 WeakPolarHBondContact O-CA 3.34Å; F147-P151 WeakPolarHBondContact O-CD 3.1Å; P151-S153 VanDerWaalsContact C-N 3.32Å
152	T	92.7	Very high	92.2	Very high	67 Å²	67	41 Å²	41	41%	0.411	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-83.1	-9.4	178.9	76.5	0	0	0	0	113	R133 D150 F154	R133-T152 PolarHBondContact NH2-O 3.19Å; D150-T152 PolarHBondContact O-N 3.38Å; D150-T152 VanDerWaalsContact O-N 3.07Å; D150-T152 PolarHBondContact OD1-N 2.89Å; D150-T152 VanDerWaalsContact OD1-N 3.13Å; D150-T152 PolarHBondContact OD1-OG1 3.28Å; T152-F154 VanDerWaalsContact C-N 3.34Å
153	S	93.3	Very high	92.6	Very high	54 Å²	54	40.8 Å²	40.8	38%	0.378	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-71.9	-26.6	-178.6	66.2	0	0	0	0	113.6	D150 P151	D150-S153 VanDerWaalsContact O-CB 3.24Å; D150-S153 WeakPolarHBondContact O-CB 3.48Å; D150-S153 PolarHBondContact O-N 3.04Å; D150-S153 PolarHBondContact O-OG 3.11Å; D150-S153 PolarHBondContact OD1-N 3.26Å; D150-S153 WeakPolarHBondContact OD2-CB 3Å; P151-S153 VanDerWaalsContact C-N 3.32Å
154	F	94.9	Very high	93	Very high	13 Å²	13	40.5 Å²	40.5	6%	0.057	22%	0.215	C	C	.	.			trans	-103.4	152.2	-178.7	-165.9	-111.4	0	0	0	111.4	R133 H135 F147 T152 Y156 H192 A195 L196 W199	R133-F154 PolarHBondContact NH2-O 2.77Å; H135-F154 VanDerWaalsContact CB-O 3.32Å; H135-F154 WeakPolarHBondContact CB-O 3.44Å; F147-F154 HydrophobicContact CB-CB 4.48Å; F147-F154 HydrophobicContact CD1-CB 4.04Å; F147-F154 HydrophobicContact CD2-CB 3.4Å; F147-F154 HydrophobicContact CD2-CD1 4.01Å; F147-F154 HydrophobicContact CD2-CD2 4.37Å; F147-F154 AromaticContact CD2-CG 3.69Å; F147-F154 HydrophobicContact CD2-CG 3.69Å; F147-F154 HydrophobicContact CE1-CB 4.1Å; F147-F154 AromaticContact CE1-CD2 3.97Å; F147-F154 HydrophobicContact CE1-CD2 3.97Å; F147-F154 HydrophobicContact CE1-CG 4.2Å; F147-F154 HydrophobicContact CE2-CB 3.46Å; F147-F154 VanDerWaalsContact CE2-CB 3.46Å; F147-F154 AromaticContact CE2-CD1 3.47Å; F147-F154 HydrophobicContact CE2-CD1 3.47Å; F147-F154 VanDerWaalsContact CE2-CD1 3.47Å; F147-F154 AromaticContact CE2-CD2 3.54Å; F147-F154 HydrophobicContact CE2-CD2 3.54Å; F147-F154 HydrophobicContact CE2-CE1 4.05Å; F147-F154 HydrophobicContact CE2-CE2 4.12Å; F147-F154 AromaticContact CE2-CG 3.18Å; F147-F154 HydrophobicContact CE2-CG 3.18Å; F147-F154 HydrophobicContact CE2-CZ 4.34Å; F147-F154 HydrophobicContact CG-CB 3.7Å; F147-F154 HydrophobicContact CG-CG 4.37Å; F147-F154 HydrophobicContact CZ-CB 3.83Å; F147-F154 HydrophobicContact CZ-CD1 4.15Å; F147-F154 AromaticContact CZ-CD2 3.3Å; F147-F154 HydrophobicContact CZ-CD2 3.3Å; F147-F154 AromaticContact CZ-CE2 3.83Å; F147-F154 HydrophobicContact CZ-CE2 3.83Å; F147-F154 AromaticContact CZ-CG 3.49Å; F147-F154 HydrophobicContact CZ-CG 3.49Å; F147-F154 VanDerWaalsContact CZ-CG 3.49Å; F147-F154 HydrophobicContact CZ-CZ 4.44Å; T152-F154 VanDerWaalsContact C-N 3.34Å; F154-Y156 HydrophobicContact CD1-CD1 4.48Å; F154-H192 AromaticContact CD1-NE2 3.71Å; F154-H192 AromaticContact CE1-NE2 3.93Å; F154-A195 HydrophobicContact CE1-CB 3.85Å; F154-A195 HydrophobicContact CZ-CB 3.79Å; F154-L196 HydrophobicContact CE1-CD2 4.1Å; F154-L196 HydrophobicContact CE1-CG 4.11Å; F154-L196 HydrophobicContact CE2-CD2 4.34Å; F154-L196 HydrophobicContact CZ-CD2 3.86Å; F154-L196 HydrophobicContact CZ-CG 4.11Å; F154-W199 HydrophobicContact CE2-CB 4.03Å; F154-W199 AromaticContact CE2-CD2 3.98Å; F154-W199 HydrophobicContact CE2-CD2 3.98Å; F154-W199 HydrophobicContact CE2-CE3 4.11Å; F154-W199 AromaticContact CE2-CG 3.94Å; F154-W199 HydrophobicContact CE2-CG 3.94Å; F154-W199 HydrophobicContact CZ-CB 4.41Å
155	G	95	Very high	93.4	Very high	11 Å²	11	34.9 Å²	34.9	11%	0.113	19%	0.189	C	C	.	.			trans	-139.5	134.6	-177.2	0	0	0	0	0	111.3	L134	L134-G155 VanDerWaalsContact O-CA 3.25Å; L134-G155 WeakPolarHBondContact O-CA 2.99Å
156	Y	96.1	Very high	94	Very high	2 Å²	2	29 Å²	29	1%	0.008	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	154.6	178.4	52.7	-93.3	0	0	0	109.8	L134 D136 H143 F154 H192 L207 A422	L134-Y156 HydrophobicContact CB-CD2 3.78Å; L134-Y156 HydrophobicContact CB-CE2 3.4Å; L134-Y156 VanDerWaalsContact CB-CE2 3.4Å; L134-Y156 HydrophobicContact CD1-CD2 4.38Å; L134-Y156 HydrophobicContact CD1-CE2 3.91Å; L134-Y156 HydrophobicContact CG-CE2 4.27Å; L134-Y156 PolarHBondContact N-O 2.76Å; L134-Y156 PolarHBondContact O-N 2.99Å; L134-Y156 VanDerWaalsContact O-N 3.09Å; D136-Y156 WeakPolarHBondContact OD1-CE1 3.44Å; D136-Y156 PolarHBondContact OD1-OH 3.45Å; H143-Y156 AromaticContact CE1-CE1 3.72Å; H143-Y156 AromaticContact CE1-CZ 3.6Å; H143-Y156 PolarHBondContact CE1-OH 2.97Å; F154-Y156 HydrophobicContact CD1-CD1 4.48Å; Y156-H192 HydrophobicContact CD1-CB 4.34Å; Y156-H192 AromaticContact CD1-CD2 3.43Å; Y156-H192 VanDerWaalsContact CD1-CD2 3.43Å; Y156-H192 WeakPolarHBondContact CD1-CD2 3.3Å; Y156-H192 AromaticContact CE1-CD2 3.68Å; Y156-H192 HydrophobicContact CG-CB 4.25Å; Y156-L207 VanDerWaalsContact C-CD2 3.44Å; Y156-A422 WeakPolarHBondContact OH-CB 3.34Å
157	P	95.9	Very high	94.5	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	144.6	-171.9	27.6	-33.9	0	0	0	111.5	F129 Q132 P159 W163 T191 L207	F129-P157 HydrophobicContact CE2-CG 4.04Å; F129-P157 HydrophobicContact CZ-CB 4.48Å; F129-P157 HydrophobicContact CZ-CG 3.67Å; Q132-P157 CarbonylContact O-C 3.56Å; Q132-P157 WeakPolarHBondContact O-CA 3.33Å; P157-P159 WeakPolarHBondContact O-CD 3.41Å; P157-W163 HydrophobicContact CB-CB 3.67Å; P157-W163 HydrophobicContact CB-CG 3.96Å; P157-W163 HydrophobicContact CG-CB 4.15Å; P157-W163 HydrophobicContact CG-CD2 4.45Å; P157-W163 HydrophobicContact CG-CG 3.96Å; P157-T191 HydrophobicContact CG-CG2 4.09Å; P157-T191 WeakPolarHBondContact O-CB 3.37Å; P157-T191 PolarHBondContact O-OG1 2.8Å; P157-L207 HydrophobicContact CB-CD1 4.2Å; P157-L207 HydrophobicContact CB-CD2 4.29Å
158	D	94.4	Very high	94.9	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.005	17%	0.165	C	C	.	.			trans	-68.3	114.2	167.2	-171.7	-24	0	0	0	109.1	Q132 L134 A160 A161 G162 S215 T424	Q132-D158 HydrophobicContact CB-CB 4.01Å; Q132-D158 HydrophobicContact CG-CB 4.11Å; Q132-D158 PolarHBondContact O-N 2.78Å; L134-D158 HydrophobicContact CD1-CB 3.81Å; L134-D158 HydrophobicContact CD2-CB 3.89Å; L134-D158 HydrophobicContact CG-CB 3.7Å; D158-A160 VanDerWaalsContact C-N 3.27Å; D158-A160 PolarHBondContact O-N 3.25Å; D158-A160 WeakPolarHBondContact OD1-CB 3.41Å; D158-A160 PolarHBondContact OD1-N 3.2Å; D158-A161 HydrophobicContact CB-CB 3.93Å; D158-A161 PolarHBondContact O-N 2.93Å; D158-G162 PolarHBondContact O-N 3.44Å; D158-S215 VanDerWaalsContact OD2-CB 3.22Å; D158-S215 WeakPolarHBondContact OD2-CB 3.31Å; D158-S215 PolarHBondContact OD2-OG 3.01Å; D158-T424 PolarHBondContact OD2-OG1 3.28Å
159	P	92.6	Very high	95.2	Very high	16 Å²	16	24.4 Å²	24.4	10%	0.104	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-35.6	-177.5	25.2	-33.9	0	0	0	112.4	P157 A161 G162 T191	P157-P159 WeakPolarHBondContact O-CD 3.41Å; P159-A161 VanDerWaalsContact C-N 3.29Å; P159-A161 PolarHBondContact O-N 3.37Å; P159-G162 PolarHBondContact O-N 3.23Å; P159-G162 VanDerWaalsContact O-N 3.12Å; P159-T191 HydrophobicContact CB-CG2 3.93Å; P159-T191 HydrophobicContact CG-CG2 4.44Å
160	A	92.9	Very high	95.4	Very high	4 Å²	4	15.1 Å²	15.1	3%	0.033	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-35	-179.9	0	0	0	0	0	111.9	T108 D158 G162 F225 Y228	T108-A160 WeakPolarHBondContact CG2-O 3.21Å; T108-A160 PolarHBondContact OG1-O 3.3Å; D158-A160 VanDerWaalsContact C-N 3.27Å; D158-A160 PolarHBondContact O-N 3.25Å; D158-A160 WeakPolarHBondContact OD1-CB 3.41Å; D158-A160 PolarHBondContact OD1-N 3.2Å; A160-G162 VanDerWaalsContact C-N 3.33Å; A160-F225 HydrophobicContact CB-CB 4.06Å; A160-F225 HydrophobicContact CB-CD1 4.02Å; A160-F225 HydrophobicContact CB-CD2 3.5Å; A160-F225 VanDerWaalsContact CB-CD2 3.5Å; A160-F225 HydrophobicContact CB-CE1 4.39Å; A160-F225 HydrophobicContact CB-CE2 3.9Å; A160-F225 HydrophobicContact CB-CG 3.58Å; A160-F225 HydrophobicContact CB-CZ 4.36Å; A160-Y228 HydrophobicContact CB-CE2 4.28Å; A160-Y228 WeakPolarHBondContact CB-OH 3.45Å
161	A	94.9	Very high	95.6	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78	-18.8	177.6	0	0	0	0	0	112.7	Q132 D158 P159 F213 T223	Q132-A161 HydrophobicContact CB-CB 3.73Å; D158-A161 HydrophobicContact CB-CB 3.93Å; D158-A161 PolarHBondContact O-N 2.93Å; P159-A161 VanDerWaalsContact C-N 3.29Å; P159-A161 PolarHBondContact O-N 3.37Å; A161-F213 HydrophobicContact CB-CB 4.19Å; A161-F213 WeakPolarHBondContact O-CD1 3.33Å; A161-T223 WeakPolarHBondContact O-CB 3.27Å; A161-T223 WeakPolarHBondContact O-CG2 3.43Å; A161-T223 PolarHBondContact O-OG1 3.33Å
162	G	96.1	Very high	95.9	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	10%	0.1	C	C	.	.			trans	73.6	172	-171.3	0	0	0	0	0	113.3	F103 D158 P159 A160 F213	F103-G162 WeakPolarHBondContact O-CA 3.36Å; D158-G162 PolarHBondContact O-N 3.44Å; P159-G162 PolarHBondContact O-N 3.23Å; P159-G162 VanDerWaalsContact O-N 3.12Å; A160-G162 VanDerWaalsContact C-N 3.33Å; G162-F213 WeakPolarHBondContact O-CD1 3.42Å
163	W	98.1	Very high	96.1	Very high	1 Å²	1	13.5 Å²	13.5	0%	0.004	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	160.9	-176	54.3	-83.2	0	0	0	111	I83 F103 F129 L130 P157 L165 I194	I83-W163 HydrophobicContact CG1-CZ2 4.37Å; I83-W163 HydrophobicContact CG2-CH2 3.98Å; I83-W163 HydrophobicContact CG2-CZ2 4.28Å; F103-W163 HydrophobicContact CB-CD2 3.93Å; F103-W163 HydrophobicContact CB-CE3 4.45Å; F103-W163 HydrophobicContact CB-CG 4.4Å; F103-W163 HydrophobicContact CB-CH2 4.26Å; F103-W163 HydrophobicContact CB-CZ2 3.68Å; F103-W163 HydrophobicContact CD1-CH2 4.2Å; F103-W163 HydrophobicContact CD1-CZ2 4.12Å; F103-W163 HydrophobicContact CD2-CD2 4.02Å; F103-W163 AromaticContact CD2-CE3 3.66Å; F103-W163 HydrophobicContact CD2-CE3 3.66Å; F103-W163 AromaticContact CD2-CH2 3.44Å; F103-W163 HydrophobicContact CD2-CH2 3.44Å; F103-W163 VanDerWaalsContact CD2-CH2 3.44Å; F103-W163 AromaticContact CD2-CZ2 3.78Å; F103-W163 HydrophobicContact CD2-CZ2 3.78Å; F103-W163 AromaticContact CD2-CZ3 3.38Å; F103-W163 HydrophobicContact CD2-CZ3 3.38Å; F103-W163 HydrophobicContact CE1-CH2 4.44Å; F103-W163 HydrophobicContact CE2-CE3 4.31Å; F103-W163 AromaticContact CE2-CH2 3.73Å; F103-W163 HydrophobicContact CE2-CH2 3.73Å; F103-W163 HydrophobicContact CE2-CZ2 4.46Å; F103-W163 AromaticContact CE2-CZ3 3.65Å; F103-W163 HydrophobicContact CE2-CZ3 3.65Å; F103-W163 HydrophobicContact CG-CD2 4.27Å; F103-W163 AromaticContact CG-CE2 3.88Å; F103-W163 HydrophobicContact CG-CE3 4.33Å; F103-W163 AromaticContact CG-CH2 3.7Å; F103-W163 HydrophobicContact CG-CH2 3.7Å; F103-W163 AromaticContact CG-CZ2 3.58Å; F103-W163 HydrophobicContact CG-CZ2 3.58Å; F103-W163 HydrophobicContact CG-CZ3 4.09Å; F103-W163 HydrophobicContact CZ-CH2 4.22Å; F103-W163 PolarHBondContact N-O 3.16Å; F103-W163 PolarHBondContact O-N 3.21Å; F129-W163 HydrophobicContact CD2-CE3 4.2Å; F129-W163 HydrophobicContact CE2-CB 4.39Å; F129-W163 HydrophobicContact CE2-CD2 4.17Å; F129-W163 AromaticContact CE2-CE3 3.6Å; F129-W163 HydrophobicContact CE2-CE3 3.6Å; F129-W163 HydrophobicContact CE2-CZ3 4.2Å; L130-W163 CarbonylContact O-C 3.57Å; L130-W163 WeakPolarHBondContact O-CA 3.5Å; L130-W163 VanDerWaalsContact O-CB 3.23Å; L130-W163 WeakPolarHBondContact O-CB 3.13Å; P157-W163 HydrophobicContact CB-CB 3.67Å; P157-W163 HydrophobicContact CB-CG 3.96Å; P157-W163 HydrophobicContact CG-CB 4.15Å; P157-W163 HydrophobicContact CG-CD2 4.45Å; P157-W163 HydrophobicContact CG-CG 3.96Å; W163-L165 HydrophobicContact CE3-CD2 4.18Å; W163-L165 HydrophobicContact CE3-CG 4.19Å; W163-L165 HydrophobicContact CZ3-CD1 3.87Å; W163-L165 HydrophobicContact CZ3-CD2 3.87Å; W163-L165 HydrophobicContact CZ3-CG 3.7Å; W163-I194 HydrophobicContact CH2-CD1 3.85Å; W163-I194 HydrophobicContact CH2-CG2 3.9Å; W163-I194 HydrophobicContact CZ2-CD1 3.57Å; W163-I194 HydrophobicContact CZ2-CG2 4.38Å; W163-I194 HydrophobicContact CZ3-CG2 4.18Å
164	A	98.4	Very high	96.3	Very high	1 Å²	1	11 Å²	11	1%	0.008	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	150.7	-175.6	0	0	0	0	0	113.3	W100 F101 L102 L119 L130 F213	W100-A164 HydrophobicContact CE3-CB 4.33Å; F101-A164 CarbonylContact O-C 3.52Å; F101-A164 WeakPolarHBondContact O-CA 3.23Å; L102-A164 HydrophobicContact CD1-CB 4.14Å; L119-A164 HydrophobicContact CD2-CB 4.5Å; L130-A164 HydrophobicContact CB-CB 4.39Å; L130-A164 PolarHBondContact N-O 3.27Å; L130-A164 PolarHBondContact O-N 3.14Å; A164-F213 HydrophobicContact CB-CZ 4.08Å
165	L	98.4	Very high	96.3	Very high	1 Å²	1	15 Å²	15	1%	0.005	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	136.1	172	-55	178.3	0	0	0	109.8	W100 F101 F103 W128 F129 W163 L169 H170 L173 I198	W100-L165 WeakPolarHBondContact CA-O 3.5Å; F101-L165 PolarHBondContact N-O 3.06Å; F101-L165 PolarHBondContact O-N 2.86Å; F103-L165 HydrophobicContact CE2-CD1 3.98Å; F103-L165 HydrophobicContact CE2-CG 4.15Å; W128-L165 WeakPolarHBondContact O-CA 3.19Å; F129-L165 HydrophobicContact CB-CD2 4.3Å; F129-L165 HydrophobicContact CD2-CD2 3.62Å; F129-L165 HydrophobicContact CE2-CD2 4.28Å; F129-L165 HydrophobicContact CG-CD2 4.22Å; W163-L165 HydrophobicContact CE3-CD2 4.18Å; W163-L165 HydrophobicContact CE3-CG 4.19Å; W163-L165 HydrophobicContact CZ3-CD1 3.87Å; W163-L165 HydrophobicContact CZ3-CD2 3.87Å; W163-L165 HydrophobicContact CZ3-CG 3.7Å; L165-L169 HydrophobicContact CD2-CD2 3.68Å; L165-L169 HydrophobicContact CD2-CG 4.31Å; L165-H170 HydrophobicContact CB-CB 4.49Å; L165-L173 HydrophobicContact CD1-CD1 3.85Å; L165-I198 HydrophobicContact CD2-CD1 3.75Å
166	S	98.1	Very high	96.3	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	152.6	161.8	57	0	0	0	0	110.4	E126 W128 A168 L169 H170	E126-S166 VanDerWaalsContact O-CB 3.31Å; E126-S166 WeakPolarHBondContact O-CB 3.38Å; E126-S166 PolarHBondContact O-OG 2.82Å; E126-S166 VanDerWaalsContact O-OG 3.08Å; W128-S166 PolarHBondContact N-OG 3.3Å; W128-S166 PolarHBondContact O-N 3.21Å; S166-A168 VanDerWaalsContact C-N 3.29Å; S166-A168 PolarHBondContact O-N 3.02Å; S166-L169 PolarHBondContact O-N 3.07Å; S166-L169 VanDerWaalsContact OG-CB 3.29Å; S166-L169 WeakPolarHBondContact OG-CB 3.4Å; S166-L169 PolarHBondContact OG-N 2.82Å; S166-H170 PolarHBondContact O-N 2.75Å
167	A	96.1	Very high	96.2	Very high	21 Å²	21	17.4 Å²	17.4	17%	0.174	9%	0.089	C	C	.	.	H	α-helix	trans	-53.5	-42.9	173.2	0	0	0	0	0	113.5	A98 S99 L169 H170 Q171	A98-A167 WeakPolarHBondContact O-CB 3.04Å; S99-A167 PolarHBondContact O-N 3.29Å; A167-L169 PolarHBondContact O-N 3.17Å; A167-H170 PolarHBondContact O-N 3.3Å; A167-Q171 WeakPolarHBondContact O-CB 3.13Å; A167-Q171 PolarHBondContact O-N 2.6Å
168	A	97.1	Very high	96	Very high	32 Å²	32	24 Å²	24	26%	0.264	12%	0.12	S	C	.	.	H	α-helix	trans	-57.1	-48.8	178	0	0	0	0	0	112.1	E127 S166 R172	E127-A168 HydrophobicContact CG-CB 4.41Å; S166-A168 VanDerWaalsContact C-N 3.29Å; S166-A168 PolarHBondContact O-N 3.02Å; A168-R172 PolarHBondContact O-N 3.12Å
169	L	98.1	Very high	95.9	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-64	-46.5	176	-178.6	54.8	0	0	0	112	E127 W128 F129 L165 S166 A167 Q171 R172 L173 I198 P205	E127-L169 HydrophobicContact CB-CB 3.95Å; E127-L169 HydrophobicContact CB-CD1 4.27Å; E127-L169 HydrophobicContact CG-CB 4.21Å; E127-L169 HydrophobicContact CG-CD1 4.45Å; W128-L169 WeakPolarHBondContact O-CD2 3.29Å; F129-L169 HydrophobicContact CB-CD2 3.79Å; L165-L169 HydrophobicContact CD2-CD2 3.68Å; L165-L169 HydrophobicContact CD2-CG 4.31Å; S166-L169 PolarHBondContact O-N 3.07Å; S166-L169 VanDerWaalsContact OG-CB 3.29Å; S166-L169 WeakPolarHBondContact OG-CB 3.4Å; S166-L169 PolarHBondContact OG-N 2.82Å; A167-L169 PolarHBondContact O-N 3.17Å; L169-Q171 VanDerWaalsContact C-N 3.31Å; L169-Q171 PolarHBondContact O-N 3.2Å; L169-R172 PolarHBondContact O-N 2.96Å; L169-L173 HydrophobicContact CD1-CD1 4.28Å; L169-L173 HydrophobicContact CD1-CD2 4.27Å; L169-L173 HydrophobicContact CD1-CG 4.1Å; L169-L173 HydrophobicContact CG-CD1 4.11Å; L169-L173 HydrophobicContact CG-CG 4.39Å; L169-L173 VanDerWaalsContact O-CG 3.29Å; L169-L173 WeakPolarHBondContact O-CG 3.45Å; L169-L173 PolarHBondContact O-N 2.86Å; L169-I198 HydrophobicContact CD1-CG2 4.28Å; L169-I198 HydrophobicContact CD2-CG2 4.04Å; L169-P205 HydrophobicContact CD1-CG 3.98Å; L169-P205 HydrophobicContact CD2-CG 3.84Å
170	H	97.4	Very high	95.7	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.005	16%	0.162	C	C	.	.	H	α-helix	trans	-56.3	-46	179.4	-178.3	89.9	0	0	0	111.9	L87 S91 F101 L165 S166 A167 R172 L173 A174	L87-H170 PolarHBondContact O-NE2 3.11Å; S91-H170 PolarHBondContact N-NE2 2.9Å; S91-H170 PolarHBondContact OG-CD2 2.73Å; F101-H170 HydrophobicContact CD2-CB 3.61Å; F101-H170 AromaticContact CD2-CG 3.57Å; F101-H170 AromaticContact CD2-ND1 3.82Å; F101-H170 HydrophobicContact CE2-CB 3.74Å; F101-H170 AromaticContact CE2-CD2 3.66Å; F101-H170 AromaticContact CE2-CG 3.52Å; F101-H170 HydrophobicContact CG-CB 4.42Å; F101-H170 AromaticContact CG-ND1 3.8Å; F101-H170 AromaticContact CZ-CD2 3.72Å; F101-H170 AromaticContact CZ-CG 3.96Å; F101-H170 AromaticContact CZ-NE2 3.93Å; L165-H170 HydrophobicContact CB-CB 4.49Å; S166-H170 PolarHBondContact O-N 2.75Å; A167-H170 PolarHBondContact O-N 3.3Å; H170-R172 PolarHBondContact O-N 3.19Å; H170-L173 PolarHBondContact O-N 3.31Å; H170-A174 PolarHBondContact O-N 3.41Å
171	Q	96.6	Very high	95.1	Very high	74 Å²	74	37 Å²	37	35%	0.346	19%	0.193	S	C	.	.	H	α-helix	trans	-59.8	-46.9	178.7	-178.6	61.2	24.5	0	0	111.8	S91 A167 L169 L173 A174 E175	S91-Q171 PolarHBondContact OG-OE1 2.81Å; A167-Q171 WeakPolarHBondContact O-CB 3.13Å; A167-Q171 PolarHBondContact O-N 2.6Å; L169-Q171 VanDerWaalsContact C-N 3.31Å; L169-Q171 PolarHBondContact O-N 3.2Å; Q171-L173 VanDerWaalsContact C-N 3.32Å; Q171-L173 PolarHBondContact O-N 3.47Å; Q171-A174 PolarHBondContact O-N 2.93Å; Q171-E175 PolarHBondContact NE2-OE1 2.81Å; Q171-E175 WeakPolarHBondContact O-CG 3.32Å; Q171-E175 PolarHBondContact O-N 3.46Å
172	R	96.8	Very high	94.4	Very high	51 Å²	51	38.3 Å²	38.3	19%	0.192	20%	0.2	C	C	.	.	H	α-helix	trans	-59	-43.9	176.5	-173.8	-170.7	68.7	-179.5	3	112	E127 A168 L169 H170 E175 R176 I198	E127-R172 VanDerWaalsContact OE1-CD 3.26Å; E127-R172 WeakPolarHBondContact OE1-CD 3.34Å; E127-R172 IonicContact OE1-CZ 3.5Å; E127-R172 IonicContact OE1-NE 3.12Å; E127-R172 IonicContact OE1-NH1 3.98Å; E127-R172 PolarHBondContact OE1-NH1 2.98Å; E127-R172 VanDerWaalsContact OE1-NH1 3.15Å; E127-R172 IonicContact OE2-CZ 2.56Å; E127-R172 IonicContact OE2-NE 2.82Å; E127-R172 IonicContact OE2-NH1 3.79Å; E127-R172 PolarHBondContact OE2-NH1 3.15Å; E127-R172 IonicContact OE2-NH2 3.38Å; E127-R172 PolarHBondContact OE2-NH2 3.3Å; A168-R172 PolarHBondContact O-N 3.12Å; L169-R172 PolarHBondContact O-N 2.96Å; H170-R172 PolarHBondContact O-N 3.19Å; R172-E175 PolarHBondContact O-N 3.32Å; R172-R176 WeakPolarHBondContact O-CB 3.49Å; R172-R176 PolarHBondContact O-N 3.27Å; R172-I198 PolarHBondContact NH2-O 3.46Å
173	L	97.3	Very high	93	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.005	24%	0.235	C	C	.	.	H	α-helix	trans	-64.7	-42	-180	-61.8	173.7	0	0	0	111.4	L87 L165 L169 H170 Q171 R176 I177 F197 I198	L87-L173 HydrophobicContact CD1-CB 3.86Å; L87-L173 HydrophobicContact CD1-CD1 4.14Å; L165-L173 HydrophobicContact CD1-CD1 3.85Å; L169-L173 HydrophobicContact CD1-CD1 4.28Å; L169-L173 HydrophobicContact CD1-CD2 4.27Å; L169-L173 HydrophobicContact CD1-CG 4.1Å; L169-L173 HydrophobicContact CG-CD1 4.11Å; L169-L173 HydrophobicContact CG-CG 4.39Å; L169-L173 VanDerWaalsContact O-CG 3.29Å; L169-L173 WeakPolarHBondContact O-CG 3.45Å; L169-L173 PolarHBondContact O-N 2.86Å; H170-L173 PolarHBondContact O-N 3.31Å; Q171-L173 VanDerWaalsContact C-N 3.32Å; Q171-L173 PolarHBondContact O-N 3.47Å; L173-R176 PolarHBondContact O-N 2.94Å; L173-I177 WeakPolarHBondContact O-CD1 3.36Å; L173-I177 WeakPolarHBondContact O-CG1 3.38Å; L173-I177 PolarHBondContact O-N 3.41Å; L173-F197 HydrophobicContact CB-CE1 4.2Å; L173-F197 HydrophobicContact CD2-CD1 3.88Å; L173-F197 HydrophobicContact CD2-CE1 3.71Å; L173-F197 HydrophobicContact CG-CE1 4.47Å; L173-I198 HydrophobicContact CD1-CD1 4.16Å; L173-I198 HydrophobicContact CD1-CG1 3.72Å; L173-I198 HydrophobicContact CD2-CG1 3.97Å
174	A	96.8	Very high	91.6	Very high	1 Å²	1	47.9 Å²	47.9	1%	0.008	25%	0.246	C	C	.	.	H	α-helix	trans	-60.7	-46.9	176.1	0	0	0	0	0	112	S91 H170 Q171 R176 I177 Q178	S91-A174 WeakPolarHBondContact OG-CB 3.39Å; H170-A174 PolarHBondContact O-N 3.41Å; Q171-A174 PolarHBondContact O-N 2.93Å; A174-R176 VanDerWaalsContact C-N 3.33Å; A174-R176 PolarHBondContact O-N 3.42Å; A174-I177 PolarHBondContact O-N 2.76Å; A174-Q178 WeakPolarHBondContact O-CG 3.47Å; A174-Q178 PolarHBondContact O-N 2.74Å; A174-Q178 VanDerWaalsContact O-N 3.11Å
175	E	95.9	Very high	90.9	Very high	98 Å²	98	52.8 Å²	52.8	46%	0.458	27%	0.272	S	S	.	.	H	α-helix	trans	-61.9	-40.6	176.3	-72.6	172.9	-174.8	0	0	112	Q171 R172 Q178 S179	Q171-E175 PolarHBondContact NE2-OE1 2.81Å; Q171-E175 WeakPolarHBondContact O-CG 3.32Å; Q171-E175 PolarHBondContact O-N 3.46Å; R172-E175 PolarHBondContact O-N 3.32Å; E175-Q178 PolarHBondContact O-N 2.84Å; E175-S179 WeakPolarHBondContact O-CB 3.45Å; E175-S179 PolarHBondContact O-N 3.33Å; E175-S179 PolarHBondContact O-OG 3.21Å
176	R	95.1	Very high	90.5	Very high	40 Å²	40	56.4 Å²	56.4	15%	0.151	29%	0.288	C	S	.	.	H	α-helix	trans	-62	-45.6	176.4	-174.4	176.2	169.3	-155.9	-4.6	111.7	R172 L173 A174 Q178 S179 E180 F197 E200	R172-R176 WeakPolarHBondContact O-CB 3.49Å; R172-R176 PolarHBondContact O-N 3.27Å; L173-R176 PolarHBondContact O-N 2.94Å; A174-R176 VanDerWaalsContact C-N 3.33Å; A174-R176 PolarHBondContact O-N 3.42Å; R176-Q178 VanDerWaalsContact C-N 3.26Å; R176-Q178 PolarHBondContact O-N 3.09Å; R176-S179 PolarHBondContact O-N 2.88Å; R176-S179 PolarHBondContact O-OG 2.9Å; R176-E180 VanDerWaalsContact CG-CD 3.42Å; R176-E180 HydrophobicContact CG-CG 4.03Å; R176-E180 WeakPolarHBondContact CG-OE2 3.39Å; R176-E180 IonicContact CZ-OE2 2.77Å; R176-E180 IonicContact NE-OE1 2.8Å; R176-E180 PolarHBondContact NE-OE1 2.67Å; R176-E180 IonicContact NE-OE2 2.9Å; R176-E180 PolarHBondContact NE-OE2 3.44Å; R176-E180 IonicContact NH2-OE2 3.86Å; R176-E180 PolarHBondContact NH2-OE2 3.18Å; R176-E180 WeakPolarHBondContact O-CB 3.3Å; R176-E180 PolarHBondContact O-N 2.95Å; R176-F197 HydrophobicContact CB-CZ 4.38Å; R176-F197 HydrophobicContact CG-CZ 4.08Å; R176-F197 PolarHBondContact NH1-O 2.92Å; R176-E200 IonicContact CZ-OE1 3.52Å; R176-E200 IonicContact NE-OE1 3.12Å; R176-E200 IonicContact NH1-OE1 3.9Å
177	I	94	Very high	90.3	Very high	22 Å²	22	56.6 Å²	56.6	11%	0.113	29%	0.289	C	S	.	.	H	α-helix	trans	-61.5	-36.2	177.4	-72.3	157.6	0	0	0	111.8	L84 L87 P88 L173 A174 L182 F197 M355	L84-I177 HydrophobicContact CB-CD1 4.3Å; L84-I177 WeakPolarHBondContact O-CD1 3.45Å; L87-I177 HydrophobicContact CB-CD1 3.91Å; L87-I177 HydrophobicContact CD1-CD1 3.87Å; L87-I177 HydrophobicContact CG-CD1 4.22Å; P88-I177 HydrophobicContact CG-CB 4Å; P88-I177 HydrophobicContact CG-CG2 3.54Å; L173-I177 WeakPolarHBondContact O-CD1 3.36Å; L173-I177 WeakPolarHBondContact O-CG1 3.38Å; L173-I177 PolarHBondContact O-N 3.41Å; A174-I177 PolarHBondContact O-N 2.76Å; I177-L182 HydrophobicContact CB-CD1 4.3Å; I177-L182 HydrophobicContact CG1-CD1 3.76Å; I177-F197 HydrophobicContact CD1-CE1 4.19Å; I177-F197 HydrophobicContact CD1-CZ 4.3Å; I177-F197 HydrophobicContact CG1-CE1 4.12Å; I177-F197 HydrophobicContact CG1-CZ 3.72Å; I177-M355 HydrophobicContact CB-CE 4.46Å; I177-M355 HydrophobicContact CG1-CE 4.23Å; I177-M355 HydrophobicContact CG2-CE 3.49Å; I177-M355 VanDerWaalsContact CG2-CE 3.49Å
178	Q	91.6	Very high	90.2	Very high	138 Å²	138	57 Å²	57	65%	0.645	29%	0.289	S	S	*	.	H	α-helix	trans	-76.4	-31	179.5	-71.5	176	-26.5	0	0	113.2	P88 A174 E175 R176	P88-Q178 HydrophobicContact CB-CG 4.02Å; P88-Q178 HydrophobicContact CG-CG 4.19Å; A174-Q178 WeakPolarHBondContact O-CG 3.47Å; A174-Q178 PolarHBondContact O-N 2.74Å; A174-Q178 VanDerWaalsContact O-N 3.11Å; E175-Q178 PolarHBondContact O-N 2.84Å; R176-Q178 VanDerWaalsContact C-N 3.26Å; R176-Q178 PolarHBondContact O-N 3.09Å
179	S	91	Very high	90	Very high	94 Å²	94	56.1 Å²	56.1	66%	0.657	28%	0.279	S	S	*	.	H	α-helix	trans	-93.1	-30.1	-175	56.4	0	0	0	0	113.7	E175 R176	E175-S179 WeakPolarHBondContact O-CB 3.45Å; E175-S179 PolarHBondContact O-N 3.33Å; E175-S179 PolarHBondContact O-OG 3.21Å; R176-S179 PolarHBondContact O-N 2.88Å; R176-S179 PolarHBondContact O-OG 2.9Å
180	E	88.1	Confident	89.7	Confident	73 Å²	73	57.3 Å²	57.3	34%	0.341	29%	0.285	S	S	.	.	S	Bend	trans	-96.4	138.6	-178.5	-64.1	-176.1	179.2	0	0	111.9	R176 L182	R176-E180 VanDerWaalsContact CG-CD 3.42Å; R176-E180 HydrophobicContact CG-CG 4.03Å; R176-E180 WeakPolarHBondContact CG-OE2 3.39Å; R176-E180 IonicContact CZ-OE2 2.77Å; R176-E180 IonicContact NE-OE1 2.8Å; R176-E180 PolarHBondContact NE-OE1 2.67Å; R176-E180 IonicContact NE-OE2 2.9Å; R176-E180 PolarHBondContact NE-OE2 3.44Å; R176-E180 IonicContact NH2-OE2 3.86Å; R176-E180 PolarHBondContact NH2-OE2 3.18Å; R176-E180 WeakPolarHBondContact O-CB 3.3Å; R176-E180 PolarHBondContact O-N 2.95Å; E180-L182 VanDerWaalsContact C-N 3.29Å; E180-L182 HydrophobicContact CB-CD2 3.98Å; E180-L182 HydrophobicContact CB-CG 4.15Å; E180-L182 PolarHBondContact O-N 2.94Å; E180-L182 WeakPolarHBondContact OE2-CD2 3.17Å
181	N	80.8	Confident	89.5	Confident	127 Å²	127	57.4 Å²	57.4	68%	0.679	29%	0.286	S	S	*	.			trans	-80.5	81.3	168.4	-172.2	7.8	0	0	0	109.8	K183	N181-K183 PolarHBondContact O-N 2.9Å; N181-K183 VanDerWaalsContact O-N 3.13Å
182	L	80.7	Confident	89.4	Confident	29 Å²	29	54.1 Å²	54.1	15%	0.152	27%	0.27	C	S	.	.			trans	-68.3	109.3	-178.6	-62.8	173.8	0	0	0	110.5	I177 E180 S184 F197 M355 Q356	I177-L182 HydrophobicContact CB-CD1 4.3Å; I177-L182 HydrophobicContact CG1-CD1 3.76Å; E180-L182 VanDerWaalsContact C-N 3.29Å; E180-L182 HydrophobicContact CB-CD2 3.98Å; E180-L182 HydrophobicContact CB-CG 4.15Å; E180-L182 PolarHBondContact O-N 2.94Å; E180-L182 WeakPolarHBondContact OE2-CD2 3.17Å; L182-S184 PolarHBondContact O-N 3.21Å; L182-F197 HydrophobicContact CD1-CE2 3.51Å; L182-F197 HydrophobicContact CD1-CZ 3.87Å; L182-F197 HydrophobicContact CD2-CE2 3.83Å; L182-F197 HydrophobicContact CG-CE2 4.34Å; L182-M355 HydrophobicContact CB-CB 4.4Å; L182-M355 HydrophobicContact CB-CG 4.27Å; L182-M355 HydrophobicContact CD1-CE 4.09Å; L182-Q356 PolarHBondContact O-NE2 3.34Å
183	K	67.5	Low	89.3	Confident	168 Å²	168	53.5 Å²	53.5	73%	0.73	27%	0.27	S	S	*	.			trans	-89.3	95.9	166.7	-65.6	-173.3	-179.8	-177	0	108.3	N181	N181-K183 PolarHBondContact O-N 2.9Å; N181-K183 VanDerWaalsContact O-N 3.13Å
184	S	67.7	Low	89.3	Confident	34 Å²	34	53.7 Å²	53.7	24%	0.238	27%	0.271	C	S	.	.			trans	-105.3	109.5	162.9	170.3	0	0	0	0	107	L182 F186 G353	L182-S184 PolarHBondContact O-N 3.21Å; S184-F186 PolarHBondContact OG-O 2.77Å; S184-G353 WeakPolarHBondContact O-CA 3Å
185	D	82.9	Confident	89.3	Confident	104 Å²	104	53.7 Å²	53.7	56%	0.556	27%	0.271	S	S	*	.			trans	-72.1	-46.5	178.3	-70.6	-25.1	0	0	0	110	Y352 G353	D185-Y352 CarbonylContact O-C 3.4Å; D185-Y352 VanDerWaalsContact O-CA 3.26Å; D185-Y352 WeakPolarHBondContact O-CA 3.26Å; D185-Y352 WeakPolarHBondContact O-CD2 3.31Å; D185-G353 PolarHBondContact O-N 3.39Å
186	F	91.3	Very high	89.3	Confident	76 Å²	76	52 Å²	52	33%	0.333	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	144	-177.3	-65.7	-84.9	0	0	0	112.3	S184 I188 G351 Y352 Y361 M394	S184-F186 PolarHBondContact OG-O 2.77Å; F186-I188 HydrophobicContact CB-CG1 4.31Å; F186-G351 CarbonylContact C-O 3.52Å; F186-G351 VanDerWaalsContact CA-O 3.3Å; F186-G351 WeakPolarHBondContact CA-O 3.41Å; F186-Y352 HydrophobicContact CD1-CD2 4.03Å; F186-Y352 AromaticContact CE1-CD2 3.65Å; F186-Y352 HydrophobicContact CE1-CD2 3.65Å; F186-Y352 HydrophobicContact CE1-CE2 4.31Å; F186-Y352 HydrophobicContact CE2-CD2 4.34Å; F186-Y352 HydrophobicContact CE2-CE2 4.33Å; F186-Y352 AromaticContact CZ-CD2 3.82Å; F186-Y352 HydrophobicContact CZ-CD2 3.82Å; F186-Y352 AromaticContact CZ-CE2 4Å; F186-Y352 HydrophobicContact CZ-CE2 4Å; F186-Y361 WeakPolarHBondContact CD1-OH 3.46Å; F186-M394 HydrophobicContact CE1-CE 3.8Å; F186-M394 HydrophobicContact CE1-SD 4.18Å; F186-M394 HydrophobicContact CZ-CE 4.22Å
187	T	94	Very high	89.3	Confident	5 Å²	5	51 Å²	51	3%	0.031	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	108.9	166.7	-62	0	0	0	0	108.5	W81 E193 Y350 G351 L354	W81-T187 HydrophobicContact CH2-CG2 3.4Å; W81-T187 HydrophobicContact CZ2-CG2 3.97Å; W81-T187 HydrophobicContact CZ3-CG2 3.93Å; T187-E193 VanDerWaalsContact CA-OE1 3.31Å; T187-E193 WeakPolarHBondContact CA-OE1 3.29Å; T187-E193 VanDerWaalsContact CA-OE2 3.26Å; T187-E193 WeakPolarHBondContact CA-OE2 3.36Å; T187-E193 WeakPolarHBondContact CB-OE2 3.32Å; T187-E193 VanDerWaalsContact CG2-OE2 3.27Å; T187-E193 WeakPolarHBondContact CG2-OE2 3.39Å; T187-E193 PolarHBondContact OG1-OE2 3.25Å; T187-Y350 CarbonylContact O-C 3.58Å; T187-Y350 VanDerWaalsContact O-CA 3.25Å; T187-Y350 WeakPolarHBondContact O-CA 3.49Å; T187-Y350 WeakPolarHBondContact O-CB 3.3Å; T187-G351 PolarHBondContact N-O 3.25Å; T187-G351 PolarHBondContact O-N 3.24Å; T187-L354 HydrophobicContact CG2-CD1 4.35Å
188	I	93.3	Very high	89.4	Confident	30 Å²	30	50 Å²	50	15%	0.154	26%	0.256	C	S	.	.	S	Bend	trans	-109.9	-58.5	-175	-66.2	-176.9	0	0	0	110.2	V142 H144 F186 E193 Y350	V142-I188 HydrophobicContact CB-CG2 3.98Å; V142-I188 HydrophobicContact CG1-CG2 4.47Å; V142-I188 VanDerWaalsContact O-CG2 3.3Å; V142-I188 WeakPolarHBondContact O-CG2 3.25Å; H144-I188 WeakPolarHBondContact NE2-CD1 3.41Å; F186-I188 HydrophobicContact CB-CG1 4.31Å; I188-E193 PolarHBondContact N-OE1 3.22Å; I188-Y350 HydrophobicContact CB-CE1 4.29Å; I188-Y350 HydrophobicContact CB-CE2 4.27Å; I188-Y350 HydrophobicContact CD1-CE2 4.13Å; I188-Y350 HydrophobicContact CG1-CD2 3.84Å; I188-Y350 HydrophobicContact CG1-CE2 3.76Å; I188-Y350 HydrophobicContact CG1-CG 4.3Å; I188-Y350 HydrophobicContact CG2-CE1 3.81Å; I188-Y350 HydrophobicContact CG2-CE2 3.97Å; I188-Y350 VanDerWaalsContact CG2-CZ 3.49Å; I188-Y350 WeakPolarHBondContact CG2-OH 3.25Å
189	D	92.9	Very high	89.7	Confident	13 Å²	13	45.9 Å²	45.9	7%	0.07	24%	0.235	C	C	.	.			trans	-120.8	98.4	179.2	-168.8	-49.2	0	0	0	110	H143 T191 H192 E193 R425	H143-D189 IonicContact CD2-OD2 2.85Å; H143-D189 VanDerWaalsContact NE2-CG 3.29Å; H143-D189 IonicContact NE2-OD2 2.76Å; H143-D189 PolarHBondContact NE2-OD2 2.79Å; D189-T191 PolarHBondContact O-N 2.75Å; D189-T191 PolarHBondContact OD1-N 3.32Å; D189-T191 PolarHBondContact OD1-OG1 2.61Å; D189-T191 VanDerWaalsContact OD1-OG1 3.13Å; D189-H192 HydrophobicContact CB-CB 4.03Å; D189-H192 PolarHBondContact O-N 3.08Å; D189-H192 PolarHBondContact OD1-N 3.06Å; D189-E193 PolarHBondContact N-OE1 3.39Å; D189-E193 WeakPolarHBondContact O-CB 3.31Å; D189-E193 WeakPolarHBondContact O-CG 3.4Å; D189-E193 PolarHBondContact O-N 3.03Å; D189-R425 IonicContact OD1-CZ 2.78Å; D189-R425 IonicContact OD1-NH1 2.92Å; D189-R425 PolarHBondContact OD1-NH1 3.44Å; D189-R425 VanDerWaalsContact OD1-NH1 3.08Å; D189-R425 IonicContact OD1-NH2 3.7Å; D189-R425 PolarHBondContact OD1-NH2 3.23Å; D189-R425 IonicContact OD2-CZ 3.54Å; D189-R425 IonicContact OD2-NH1 3.46Å; D189-R425 PolarHBondContact OD2-NH1 3.27Å; D189-R425 IonicContact OD2-NH2 3.92Å; D189-R425 PolarHBondContact OD2-NH2 2.93Å
190	L	92.3	Very high	89.8	Confident	25 Å²	25	42.3 Å²	42.3	13%	0.131	21%	0.208	C	C	.	.	H	α-helix	trans	-49.6	-52.5	-174.5	175.1	57.1	0	0	0	113.4	W81 S82 I83 E193 I194	W81-L190 HydrophobicContact CE3-CD2 4.35Å; W81-L190 HydrophobicContact CZ3-CB 4.3Å; W81-L190 WeakPolarHBondContact O-CD2 3.35Å; S82-L190 VanDerWaalsContact C-CD1 3.43Å; S82-L190 VanDerWaalsContact CA-CD1 3.47Å; S82-L190 WeakPolarHBondContact O-CD1 3.43Å; I83-L190 HydrophobicContact CG1-CD1 4.35Å; I83-L190 HydrophobicContact CG1-CD2 4.25Å; L190-E193 PolarHBondContact O-N 3.13Å; L190-I194 HydrophobicContact CD1-CD1 3.54Å; L190-I194 HydrophobicContact CD1-CG1 3.98Å; L190-I194 HydrophobicContact CG-CD1 3.86Å; L190-I194 WeakPolarHBondContact O-CB 3.19Å; L190-I194 VanDerWaalsContact O-CG1 3.28Å; L190-I194 WeakPolarHBondContact O-CG1 3.23Å; L190-I194 PolarHBondContact O-N 2.86Å
191	T	93.4	Very high	90	Very high	2 Å²	2	46.8 Å²	46.8	1%	0.012	23%	0.229	C	C	.	.	H	α-helix	trans	-72.7	-33.4	-172.9	49.3	0	0	0	0	112	P157 P159 D189 A195 R425	P157-T191 HydrophobicContact CG-CG2 4.09Å; P157-T191 WeakPolarHBondContact O-CB 3.37Å; P157-T191 PolarHBondContact O-OG1 2.8Å; P159-T191 HydrophobicContact CB-CG2 3.93Å; P159-T191 HydrophobicContact CG-CG2 4.44Å; D189-T191 PolarHBondContact O-N 2.75Å; D189-T191 PolarHBondContact OD1-N 3.32Å; D189-T191 PolarHBondContact OD1-OG1 2.61Å; D189-T191 VanDerWaalsContact OD1-OG1 3.13Å; T191-A195 WeakPolarHBondContact O-CB 3.35Å; T191-A195 PolarHBondContact O-N 3.19Å; T191-R425 PolarHBondContact OG1-NH2 3.24Å
192	H	95.1	Very high	90.7	Very high	5 Å²	5	42.9 Å²	42.9	2%	0.023	22%	0.219	C	C	.	.	H	α-helix	trans	-67.1	-43.6	173.6	-175.5	-82	0	0	0	111	H143 F154 Y156 D189 A195 L196	H143-H192 AromaticContact CD2-CD2 3.61Å; H143-H192 AromaticContact CD2-CG 3.36Å; H143-H192 AromaticContact CD2-ND1 3.8Å; H143-H192 AromaticContact CE1-CD2 3.64Å; H143-H192 AromaticContact CG-CD2 3.45Å; H143-H192 VanDerWaalsContact CG-CD2 3.45Å; H143-H192 AromaticContact CG-CE1 3.94Å; H143-H192 AromaticContact CG-CG 3.65Å; H143-H192 AromaticContact CG-ND1 3.93Å; H143-H192 AromaticContact CG-NE2 3.7Å; H143-H192 AromaticContact ND1-CD2 3.45Å; H143-H192 PolarHBondContact ND1-CD2 2.83Å; H143-H192 AromaticContact ND1-NE2 3.89Å; H143-H192 WeakPolarHBondContact NE2-CB 3.33Å; H143-H192 AromaticContact NE2-CD2 3.73Å; H143-H192 AromaticContact NE2-CG 3.62Å; F154-H192 AromaticContact CD1-NE2 3.71Å; F154-H192 AromaticContact CE1-NE2 3.93Å; Y156-H192 HydrophobicContact CD1-CB 4.34Å; Y156-H192 AromaticContact CD1-CD2 3.43Å; Y156-H192 VanDerWaalsContact CD1-CD2 3.43Å; Y156-H192 WeakPolarHBondContact CD1-CD2 3.3Å; Y156-H192 AromaticContact CE1-CD2 3.68Å; Y156-H192 HydrophobicContact CG-CB 4.25Å; D189-H192 HydrophobicContact CB-CB 4.03Å; D189-H192 PolarHBondContact O-N 3.08Å; D189-H192 PolarHBondContact OD1-N 3.06Å; H192-A195 PolarHBondContact O-N 3.13Å; H192-L196 VanDerWaalsContact CE1-CD1 3.47Å; H192-L196 WeakPolarHBondContact CE1-CD1 3.1Å; H192-L196 PolarHBondContact O-N 3.47Å
193	E	94.6	Very high	91.3	Very high	39 Å²	39	49.3 Å²	49.3	18%	0.182	24%	0.241	C	C	.	.	H	α-helix	trans	-65.3	-41.9	177.8	-73.6	173.3	-161.9	0	0	112.9	T187 I188 D189 L190 A195 L196 F197	T187-E193 VanDerWaalsContact CA-OE1 3.31Å; T187-E193 WeakPolarHBondContact CA-OE1 3.29Å; T187-E193 VanDerWaalsContact CA-OE2 3.26Å; T187-E193 WeakPolarHBondContact CA-OE2 3.36Å; T187-E193 WeakPolarHBondContact CB-OE2 3.32Å; T187-E193 VanDerWaalsContact CG2-OE2 3.27Å; T187-E193 WeakPolarHBondContact CG2-OE2 3.39Å; T187-E193 PolarHBondContact OG1-OE2 3.25Å; I188-E193 PolarHBondContact N-OE1 3.22Å; D189-E193 PolarHBondContact N-OE1 3.39Å; D189-E193 WeakPolarHBondContact O-CB 3.31Å; D189-E193 WeakPolarHBondContact O-CG 3.4Å; D189-E193 PolarHBondContact O-N 3.03Å; L190-E193 PolarHBondContact O-N 3.13Å; E193-A195 VanDerWaalsContact C-N 3.32Å; E193-A195 PolarHBondContact O-N 3.49Å; E193-L196 PolarHBondContact O-N 3.15Å; E193-F197 WeakPolarHBondContact O-CB 3.35Å; E193-F197 PolarHBondContact O-N 2.96Å
194	I	95.4	Very high	92.7	Very high	4 Å²	4	41.9 Å²	41.9	2%	0.021	21%	0.212	C	C	.	.	H	α-helix	trans	-60	-45.2	172.2	-72.6	170.9	0	0	0	110.2	I83 L84 F129 W163 L190 L196 F197 I198	I83-I194 HydrophobicContact CB-CD1 3.76Å; I83-I194 HydrophobicContact CG1-CD1 3.92Å; I83-I194 HydrophobicContact CG2-CD1 4.22Å; L84-I194 HydrophobicContact CD2-CG1 4.29Å; F129-I194 HydrophobicContact CZ-CG2 4.39Å; W163-I194 HydrophobicContact CH2-CD1 3.85Å; W163-I194 HydrophobicContact CH2-CG2 3.9Å; W163-I194 HydrophobicContact CZ2-CD1 3.57Å; W163-I194 HydrophobicContact CZ2-CG2 4.38Å; W163-I194 HydrophobicContact CZ3-CG2 4.18Å; L190-I194 HydrophobicContact CD1-CD1 3.54Å; L190-I194 HydrophobicContact CD1-CG1 3.98Å; L190-I194 HydrophobicContact CG-CD1 3.86Å; L190-I194 WeakPolarHBondContact O-CB 3.19Å; L190-I194 VanDerWaalsContact O-CG1 3.28Å; L190-I194 WeakPolarHBondContact O-CG1 3.23Å; L190-I194 PolarHBondContact O-N 2.86Å; I194-L196 VanDerWaalsContact C-N 3.34Å; I194-L196 PolarHBondContact O-N 2.9Å; I194-F197 PolarHBondContact O-N 3.38Å; I194-I198 HydrophobicContact CG2-CD1 3.6Å; I194-I198 HydrophobicContact CG2-CG1 4.29Å; I194-I198 WeakPolarHBondContact O-CB 3.41Å; I194-I198 VanDerWaalsContact O-CG1 3.27Å; I194-I198 WeakPolarHBondContact O-CG1 3.29Å; I194-I198 PolarHBondContact O-N 3.29Å
195	A	97.1	Very high	94.2	Very high	2 Å²	2	41.5 Å²	41.5	2%	0.017	21%	0.209	C	C	.	.	H	α-helix	trans	-62.2	-41.9	179	0	0	0	0	0	111.8	F129 F154 T191 H192 E193 I198 W199	F129-A195 HydrophobicContact CE1-CB 3.94Å; F129-A195 HydrophobicContact CZ-CB 4.37Å; F154-A195 HydrophobicContact CE1-CB 3.85Å; F154-A195 HydrophobicContact CZ-CB 3.79Å; T191-A195 WeakPolarHBondContact O-CB 3.35Å; T191-A195 PolarHBondContact O-N 3.19Å; H192-A195 PolarHBondContact O-N 3.13Å; E193-A195 VanDerWaalsContact C-N 3.32Å; E193-A195 PolarHBondContact O-N 3.49Å; A195-I198 PolarHBondContact O-N 3.39Å; A195-W199 WeakPolarHBondContact O-CB 3.43Å; A195-W199 PolarHBondContact O-N 2.6Å
196	L	95.7	Very high	94.8	Very high	61 Å²	61	42.8 Å²	42.8	32%	0.319	21%	0.209	S	C	.	.	H	α-helix	trans	-62.4	-44.5	174.2	-81.8	178.4	0	0	0	111.8	F147 F154 H192 E193 I194 I198 W199 E200	F147-L196 HydrophobicContact CE2-CD2 3.74Å; F147-L196 HydrophobicContact CZ-CD2 3.89Å; F154-L196 HydrophobicContact CE1-CD2 4.1Å; F154-L196 HydrophobicContact CE1-CG 4.11Å; F154-L196 HydrophobicContact CE2-CD2 4.34Å; F154-L196 HydrophobicContact CZ-CD2 3.86Å; F154-L196 HydrophobicContact CZ-CG 4.11Å; H192-L196 VanDerWaalsContact CE1-CD1 3.47Å; H192-L196 WeakPolarHBondContact CE1-CD1 3.1Å; H192-L196 PolarHBondContact O-N 3.47Å; E193-L196 PolarHBondContact O-N 3.15Å; I194-L196 VanDerWaalsContact C-N 3.34Å; I194-L196 PolarHBondContact O-N 2.9Å; L196-I198 PolarHBondContact O-N 2.93Å; L196-W199 HydrophobicContact CD2-CE3 4.35Å; L196-W199 PolarHBondContact O-N 3.24Å; L196-E200 PolarHBondContact O-N 3.26Å
197	F	95.4	Very high	95.2	Very high	20 Å²	20	40 Å²	40	9%	0.088	20%	0.198	C	C	.	.	H	α-helix	trans	-60.4	-46.1	178.2	-175.1	-100.8	0	0	0	111.1	L84 L173 R176 I177 L182 E193 I194	L84-F197 HydrophobicContact CD1-CB 4.24Å; L84-F197 HydrophobicContact CD1-CD1 4.44Å; L84-F197 HydrophobicContact CD1-CD2 4.26Å; L84-F197 HydrophobicContact CD1-CG 4.04Å; L84-F197 HydrophobicContact CD2-CB 4.34Å; L84-F197 HydrophobicContact CD2-CD1 3.57Å; L84-F197 HydrophobicContact CD2-CE1 4.09Å; L84-F197 HydrophobicContact CD2-CG 3.98Å; L173-F197 HydrophobicContact CB-CE1 4.2Å; L173-F197 HydrophobicContact CD2-CD1 3.88Å; L173-F197 HydrophobicContact CD2-CE1 3.71Å; L173-F197 HydrophobicContact CG-CE1 4.47Å; R176-F197 HydrophobicContact CB-CZ 4.38Å; R176-F197 HydrophobicContact CG-CZ 4.08Å; R176-F197 PolarHBondContact NH1-O 2.92Å; I177-F197 HydrophobicContact CD1-CE1 4.19Å; I177-F197 HydrophobicContact CD1-CZ 4.3Å; I177-F197 HydrophobicContact CG1-CE1 4.12Å; I177-F197 HydrophobicContact CG1-CZ 3.72Å; L182-F197 HydrophobicContact CD1-CE2 3.51Å; L182-F197 HydrophobicContact CD1-CZ 3.87Å; L182-F197 HydrophobicContact CD2-CE2 3.83Å; L182-F197 HydrophobicContact CG-CE2 4.34Å; E193-F197 WeakPolarHBondContact O-CB 3.35Å; E193-F197 PolarHBondContact O-N 2.96Å; I194-F197 PolarHBondContact O-N 3.38Å
198	I	97.4	Very high	95.4	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-65.7	-43.3	178.2	-69.1	171.9	0	0	0	111.9	F129 L165 L169 R172 L173 I194 A195 L196 E200 G204 P205	F129-I198 HydrophobicContact CB-CG2 4.24Å; F129-I198 HydrophobicContact CD1-CB 4.37Å; F129-I198 HydrophobicContact CD1-CD1 3.88Å; F129-I198 HydrophobicContact CD1-CG2 3.91Å; F129-I198 HydrophobicContact CD2-CD1 3.92Å; F129-I198 HydrophobicContact CE1-CD1 3.85Å; F129-I198 HydrophobicContact CE2-CD1 3.89Å; F129-I198 HydrophobicContact CG-CD1 3.9Å; F129-I198 HydrophobicContact CG-CG2 4.27Å; F129-I198 HydrophobicContact CZ-CD1 3.82Å; L165-I198 HydrophobicContact CD2-CD1 3.75Å; L169-I198 HydrophobicContact CD1-CG2 4.28Å; L169-I198 HydrophobicContact CD2-CG2 4.04Å; R172-I198 PolarHBondContact NH2-O 3.46Å; L173-I198 HydrophobicContact CD1-CD1 4.16Å; L173-I198 HydrophobicContact CD1-CG1 3.72Å; L173-I198 HydrophobicContact CD2-CG1 3.97Å; I194-I198 HydrophobicContact CG2-CD1 3.6Å; I194-I198 HydrophobicContact CG2-CG1 4.29Å; I194-I198 WeakPolarHBondContact O-CB 3.41Å; I194-I198 VanDerWaalsContact O-CG1 3.27Å; I194-I198 WeakPolarHBondContact O-CG1 3.29Å; I194-I198 PolarHBondContact O-N 3.29Å; A195-I198 PolarHBondContact O-N 3.39Å; L196-I198 PolarHBondContact O-N 2.93Å; I198-E200 VanDerWaalsContact C-N 3.32Å; I198-E200 PolarHBondContact O-N 2.83Å; I198-G204 WeakPolarHBondContact O-CA 3.25Å; I198-P205 HydrophobicContact CG2-CG 4.04Å
199	W	96.9	Very high	95.5	Very high	53 Å²	53	43.4 Å²	43.4	20%	0.201	22%	0.22	C	C	.	.	H	α-helix	trans	-67	-33.5	-176.7	177.7	58.7	0	0	0	112.5	F147 F154 A195 L196 E201 G202 R203 G204	F147-W199 HydrophobicContact CE1-CH2 4.13Å; F147-W199 HydrophobicContact CE1-CZ3 4.08Å; F147-W199 HydrophobicContact CZ-CE3 4.2Å; F147-W199 HydrophobicContact CZ-CH2 4.35Å; F147-W199 AromaticContact CZ-CZ3 3.85Å; F147-W199 HydrophobicContact CZ-CZ3 3.85Å; F154-W199 HydrophobicContact CE2-CB 4.03Å; F154-W199 AromaticContact CE2-CD2 3.98Å; F154-W199 HydrophobicContact CE2-CD2 3.98Å; F154-W199 HydrophobicContact CE2-CE3 4.11Å; F154-W199 AromaticContact CE2-CG 3.94Å; F154-W199 HydrophobicContact CE2-CG 3.94Å; F154-W199 HydrophobicContact CZ-CB 4.41Å; A195-W199 WeakPolarHBondContact O-CB 3.43Å; A195-W199 PolarHBondContact O-N 2.6Å; L196-W199 HydrophobicContact CD2-CE3 4.35Å; L196-W199 PolarHBondContact O-N 3.24Å; W199-E201 PolarHBondContact O-N 3.06Å; W199-G202 VanDerWaalsContact NE1-CA 3.34Å; W199-G202 CarbonylContact O-C 3.59Å; W199-G202 WeakPolarHBondContact O-CA 3.3Å; W199-G202 PolarHBondContact O-N 3.39Å; W199-R203 PolarHBondContact O-N 2.96Å; W199-G204 PolarHBondContact O-N 3.48Å
200	E	94.2	Very high	95.7	Very high	19 Å²	19	42.8 Å²	42.8	9%	0.089	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	49.9	53.7	172	-165.1	-175.4	-166.7	0	0	112.9	R176 L196 I198 G202 R203	R176-E200 IonicContact CZ-OE1 3.52Å; R176-E200 IonicContact NE-OE1 3.12Å; R176-E200 IonicContact NH1-OE1 3.9Å; L196-E200 PolarHBondContact O-N 3.26Å; I198-E200 VanDerWaalsContact C-N 3.32Å; I198-E200 PolarHBondContact O-N 2.83Å; E200-G202 PolarHBondContact O-N 3.06Å; E200-R203 HydrophobicContact CB-CB 4.26Å; E200-R203 VanDerWaalsContact CD-NH2 3.32Å; E200-R203 HydrophobicContact CG-CB 4.24Å; E200-R203 VanDerWaalsContact CG-NH2 3.31Å; E200-R203 WeakPolarHBondContact O-CB 3.19Å; E200-R203 PolarHBondContact O-N 3.08Å; E200-R203 IonicContact OE1-CZ 3.98Å; E200-R203 IonicContact OE1-NE 3.19Å; E200-R203 IonicContact OE1-NH1 3.4Å; E200-R203 PolarHBondContact OE1-NH1 3.48Å; E200-R203 IonicContact OE1-NH2 3.17Å; E200-R203 PolarHBondContact OE1-NH2 3.06Å; E200-R203 IonicContact OE2-NH1 3.4Å
201	E	92.1	Very high	95.8	Very high	166 Å²	166	46 Å²	46	78%	0.776	24%	0.239	S	C	*	.	G	3₁₀ helix	trans	55.6	26.6	-178.8	-57.4	179.9	178.3	0	0	113.7	W199	W199-E201 PolarHBondContact O-N 3.06Å
202	G	94.1	Very high	95.9	Very high	46 Å²	46	47.1 Å²	47.1	47%	0.474	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	94.6	1.2	-179.7	0	0	0	0	0	115.1	W199 E200	W199-G202 VanDerWaalsContact NE1-CA 3.34Å; W199-G202 CarbonylContact O-C 3.59Å; W199-G202 WeakPolarHBondContact O-CA 3.3Å; W199-G202 PolarHBondContact O-N 3.39Å; E200-G202 PolarHBondContact O-N 3.06Å
203	R	94.8	Very high	96	Very high	164 Å²	164	46.9 Å²	46.9	62%	0.619	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-26.4	173.5	-65.6	-172	-77.9	138	-3.2	112.8	W199 E200	W199-R203 PolarHBondContact O-N 2.96Å; E200-R203 HydrophobicContact CB-CB 4.26Å; E200-R203 VanDerWaalsContact CD-NH2 3.32Å; E200-R203 HydrophobicContact CG-CB 4.24Å; E200-R203 VanDerWaalsContact CG-NH2 3.31Å; E200-R203 WeakPolarHBondContact O-CB 3.19Å; E200-R203 PolarHBondContact O-N 3.08Å; E200-R203 IonicContact OE1-CZ 3.98Å; E200-R203 IonicContact OE1-NE 3.19Å; E200-R203 IonicContact OE1-NH1 3.4Å; E200-R203 PolarHBondContact OE1-NH1 3.48Å; E200-R203 IonicContact OE1-NH2 3.17Å; E200-R203 PolarHBondContact OE1-NH2 3.06Å; E200-R203 IonicContact OE2-NH1 3.4Å
204	G	96.8	Very high	95.9	Very high	11 Å²	11	45.4 Å²	45.4	11%	0.113	24%	0.237	C	C	.	.	S	Bend	trans	-105.1	174.2	175.8	0	0	0	0	0	114.1	I198 W199	I198-G204 WeakPolarHBondContact O-CA 3.25Å; W199-G204 PolarHBondContact O-N 3.48Å
205	P	97.6	Very high	95.6	Very high	27 Å²	27	46.5 Å²	46.5	18%	0.175	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-70.7	147.1	-177.4	30.4	-32.9	0	0	0	110.9	E127 L169 I198	E127-P205 HydrophobicContact CB-CG 4.16Å; E127-P205 WeakPolarHBondContact OE2-CD 3.5Å; L169-P205 HydrophobicContact CD1-CG 3.98Å; L169-P205 HydrophobicContact CD2-CG 3.84Å; I198-P205 HydrophobicContact CG2-CG 4.04Å
206	K	97.2	Very high	94.9	Very high	130 Å²	130	51.3 Å²	51.3	57%	0.565	27%	0.267	S	S	*	.	P	Polyproline II helix	trans	-78	159	165.3	-67.1	-175.4	178.6	-172	0	109.8	T208	K206-T208 PolarHBondContact O-N 3.04Å; K206-T208 VanDerWaalsContact O-N 3.14Å
207	L	98.1	Very high	93.9	Very high	18 Å²	18	53.7 Å²	53.7	9%	0.094	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-56	120.9	170	-179.3	72	0	0	0	110.2	F129 R133 Y156 P157	F129-L207 HydrophobicContact CD1-CB 3.86Å; F129-L207 HydrophobicContact CD1-CD1 3.86Å; F129-L207 HydrophobicContact CD1-CG 4.5Å; F129-L207 HydrophobicContact CD2-CD1 3.85Å; F129-L207 HydrophobicContact CE1-CB 3.91Å; F129-L207 HydrophobicContact CE1-CD1 3.82Å; F129-L207 HydrophobicContact CE1-CG 4.44Å; F129-L207 HydrophobicContact CE2-CD1 3.81Å; F129-L207 HydrophobicContact CG-CD1 3.89Å; F129-L207 HydrophobicContact CZ-CD1 3.82Å; R133-L207 HydrophobicContact CB-CD2 3.92Å; R133-L207 HydrophobicContact CG-CD2 4.29Å; Y156-L207 VanDerWaalsContact C-CD2 3.44Å; P157-L207 HydrophobicContact CB-CD1 4.2Å; P157-L207 HydrophobicContact CB-CD2 4.29Å
208	T	98.1	Very high	93.4	Very high	42 Å²	42	59.9 Å²	59.9	26%	0.258	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	116.1	170.7	-64.4	0	0	0	0	108.3	Y122 W128 F129 L130 G131 K206 V210	Y122-T208 HydrophobicContact CE1-CG2 4.17Å; W128-T208 HydrophobicContact CE3-CG2 4.48Å; W128-T208 HydrophobicContact CZ3-CG2 4.32Å; F129-T208 WeakPolarHBondContact O-CB 3.23Å; F129-T208 PolarHBondContact O-N 3.31Å; L130-T208 HydrophobicContact CD2-CG2 3.9Å; G131-T208 PolarHBondContact N-O 3.08Å; K206-T208 PolarHBondContact O-N 3.04Å; K206-T208 VanDerWaalsContact O-N 3.14Å; T208-V210 PolarHBondContact O-N 3.38Å
209	T	96.7	Very high	92.8	Very high	64 Å²	64	67.7 Å²	67.7	39%	0.393	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	126.3	-179.1	-52.7	0	0	0	0	110.4	G131 R133	G131-T209 CarbonylContact O-C 3.58Å; G131-T209 VanDerWaalsContact O-CA 3.32Å; G131-T209 WeakPolarHBondContact O-CA 3.48Å; R133-T209 HydrophobicContact CB-CG2 3.93Å; R133-T209 WeakPolarHBondContact CB-OG1 3.45Å
210	V	96.8	Very high	92.5	Very high	0 Å²	0	69.9 Å²	69.9	0%	0	37%	0.365	C	S	.	.			trans	-123.2	107.3	-179.9	-178.6	0	0	0	0	109.5	V118 Y122 L130 G131 T208 E212 F213	V118-V210 HydrophobicContact CG1-CG1 3.66Å; Y122-V210 HydrophobicContact CE2-CG2 4.44Å; L130-V210 HydrophobicContact CB-CG2 3.94Å; L130-V210 HydrophobicContact CD2-CG2 3.73Å; L130-V210 HydrophobicContact CG-CG2 4.3Å; G131-V210 PolarHBondContact O-N 3.3Å; T208-V210 PolarHBondContact O-N 3.38Å; V210-E212 HydrophobicContact CG1-CB 4.48Å; V210-E212 WeakPolarHBondContact CG1-OE2 3.46Å; V210-E212 PolarHBondContact O-N 2.89Å; V210-E212 VanDerWaalsContact O-N 3.09Å; V210-F213 HydrophobicContact CB-CD2 3.61Å; V210-F213 HydrophobicContact CB-CE2 4.02Å; V210-F213 HydrophobicContact CG1-CD2 3.58Å; V210-F213 HydrophobicContact CG1-CE2 3.87Å; V210-F213 PolarHBondContact O-N 3.25Å
211	P	94.1	Very high	92.5	Very high	94 Å²	94	69.1 Å²	69.1	61%	0.61	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-20.7	-173.2	-25.4	34.4	0	0	0	115.6	F213	P211-F213 VanDerWaalsContact C-N 3.29Å
212	E	96.8	Very high	92.8	Very high	24 Å²	24	61.2 Å²	61.2	11%	0.112	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-12.5	177.8	-60.8	90.7	159.2	0	0	113.1	V118 R121 V210 C214 N220 C221 A222 T223	V118-E212 HydrophobicContact CG2-CB 3.59Å; V118-E212 HydrophobicContact CG2-CG 3.66Å; R121-E212 IonicContact CZ-OE1 2.6Å; R121-E212 IonicContact CZ-OE2 3.52Å; R121-E212 IonicContact NH1-OE1 3.15Å; R121-E212 PolarHBondContact NH1-OE1 3.23Å; R121-E212 IonicContact NH1-OE2 2.64Å; R121-E212 VanDerWaalsContact NH2-CD 3.28Å; R121-E212 IonicContact NH2-OE1 3.49Å; R121-E212 PolarHBondContact NH2-OE1 3.11Å; R121-E212 IonicContact NH2-OE2 3.81Å; R121-E212 PolarHBondContact NH2-OE2 2.99Å; V210-E212 HydrophobicContact CG1-CB 4.48Å; V210-E212 WeakPolarHBondContact CG1-OE2 3.46Å; V210-E212 PolarHBondContact O-N 2.89Å; V210-E212 VanDerWaalsContact O-N 3.09Å; E212-C214 PolarHBondContact O-N 3.27Å; E212-C214 PolarHBondContact O-SG 2.99Å; E212-N220 WeakPolarHBondContact CG-O 3.28Å; E212-C221 CarbonylContact O-C 3.25Å; E212-C221 WeakPolarHBondContact O-CA 3.45Å; E212-A222 HydrophobicContact CB-CB 4.04Å; E212-A222 WeakPolarHBondContact O-CA 3.49Å; E212-A222 WeakPolarHBondContact O-CB 3.48Å; E212-A222 PolarHBondContact O-N 3.36Å; E212-T223 PolarHBondContact O-N 3.22Å
213	F	96.2	Very high	92.9	Very high	1 Å²	1	59 Å²	59	0%	0.004	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	111.4	165.4	-74.3	-102.8	0	0	0	107.7	L102 L115 V118 L130 Q132 A161 G162 A164 V210 P211 T223	L102-F213 HydrophobicContact CD1-CE1 3.67Å; L102-F213 HydrophobicContact CD1-CZ 4.19Å; L115-F213 HydrophobicContact CD1-CZ 4.21Å; V118-F213 HydrophobicContact CG1-CE2 4.16Å; L130-F213 HydrophobicContact CB-CE2 4.36Å; Q132-F213 HydrophobicContact CB-CB 4.19Å; Q132-F213 WeakPolarHBondContact CB-O 3.5Å; A161-F213 HydrophobicContact CB-CB 4.19Å; A161-F213 WeakPolarHBondContact O-CD1 3.33Å; G162-F213 WeakPolarHBondContact O-CD1 3.42Å; A164-F213 HydrophobicContact CB-CZ 4.08Å; V210-F213 HydrophobicContact CB-CD2 3.61Å; V210-F213 HydrophobicContact CB-CE2 4.02Å; V210-F213 HydrophobicContact CG1-CD2 3.58Å; V210-F213 HydrophobicContact CG1-CE2 3.87Å; V210-F213 PolarHBondContact O-N 3.25Å; P211-F213 VanDerWaalsContact C-N 3.29Å; F213-T223 WeakPolarHBondContact CA-OG1 3.49Å; F213-T223 HydrophobicContact CD1-CG2 4.13Å; F213-T223 HydrophobicContact CE1-CG2 4.45Å
214	C	93.1	Very high	92.7	Very high	7 Å²	7	54.3 Å²	54.3	5%	0.047	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	128.4	-170.6	-50.3	0	0	0	0	112.5	E212 E216 C221 T223 F225	E212-C214 PolarHBondContact O-N 3.27Å; E212-C214 PolarHBondContact O-SG 2.99Å; C214-E216 VanDerWaalsContact CB-O 3.26Å; C214-E216 WeakPolarHBondContact CB-O 3.48Å; C214-C221 HydrophobicContact CB-CB 3.74Å; C214-C221 WeakPolarHBondContact CB-SG 3.45Å; C214-C221 WeakPolarHBondContact SG-CB 3.27Å; C214-C221 CovalentContact SG-SG 2.03Å; C214-C221 PolarHBondContact SG-SG 2.82Å; C214-T223 VanDerWaalsContact CB-O 3.28Å; C214-T223 WeakPolarHBondContact CB-O 3.47Å; C214-T223 PolarHBondContact N-O 2.75Å; C214-T223 PolarHBondContact N-OG1 2.77Å; C214-F225 PolarHBondContact O-N 3.41Å
215	S	87.9	Confident	92.4	Very high	27 Å²	27	54.9 Å²	54.9	19%	0.189	29%	0.285	C	S	.	.	S	Bend	trans	-88.3	-11.3	164.2	43.2	0	0	0	0	112.8	D158	D158-S215 VanDerWaalsContact OD2-CB 3.22Å; D158-S215 WeakPolarHBondContact OD2-CB 3.31Å; D158-S215 PolarHBondContact OD2-OG 3.01Å
216	E	82.7	Confident	91.7	Very high	104 Å²	104	57 Å²	57	49%	0.486	30%	0.298	S	S	.	.	S	Bend	trans	-121.9	153.7	175	-65.4	179.2	163.8	0	0	111.2	C214 R218	C214-E216 VanDerWaalsContact CB-O 3.26Å; C214-E216 WeakPolarHBondContact CB-O 3.48Å; E216-R218 PolarHBondContact O-N 3.03Å; E216-R218 VanDerWaalsContact O-N 3.15Å; E216-R218 IonicContact OE2-CZ 3.27Å; E216-R218 IonicContact OE2-NE 3.39Å; E216-R218 IonicContact OE2-NH2 3.05Å; E216-R218 PolarHBondContact OE2-NH2 2.64Å
217	T	76.2	Confident	91.2	Very high	111 Å²	111	53.6 Å²	53.6	68%	0.681	29%	0.286	S	S	*	.			trans	-72.5	112.7	178.2	-61.2	0	0	0	0	110.6
218	R	83.5	Confident	90.5	Very high	150 Å²	150	54.2 Å²	54.2	57%	0.566	29%	0.287	S	S	*	.			trans	-133.8	166.9	172.1	-55.8	178.2	-175.1	171.5	2.2	110.4	E216 C221	E216-R218 PolarHBondContact O-N 3.03Å; E216-R218 VanDerWaalsContact O-N 3.15Å; E216-R218 IonicContact OE2-CZ 3.27Å; E216-R218 IonicContact OE2-NE 3.39Å; E216-R218 IonicContact OE2-NH2 3.05Å; E216-R218 PolarHBondContact OE2-NH2 2.64Å; R218-C221 PolarHBondContact O-SG 3.25Å; R218-C221 VanDerWaalsContact O-SG 3.34Å
219	D	84.4	Confident	89.9	Confident	163 Å²	163	53.1 Å²	53.1	87%	0.872	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	147.1	171.3	-68	-32.3	0	0	0	110.4	C221	D219-C221 VanDerWaalsContact C-N 3.31Å; D219-C221 PolarHBondContact O-N 3.46Å
220	N	91	Very high	89.3	Confident	100 Å²	100	50.7 Å²	50.7	54%	0.535	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	62	27.6	177	-160.3	51.2	0	0	0	116.1	V114 E212	V114-N220 WeakPolarHBondContact CG1-O 3.37Å; E212-N220 WeakPolarHBondContact CG-O 3.28Å
221	C	95.6	Very high	88.9	Confident	3 Å²	3	57.8 Å²	57.8	2%	0.02	30%	0.303	C	S	.	.			trans	-77.4	131.4	172.4	-68.3	0	0	0	0	112.9	V111 E212 C214 R218 D219 T223 K224	V111-C221 WeakPolarHBondContact CB-O 3.26Å; V111-C221 WeakPolarHBondContact CG2-O 3.11Å; E212-C221 CarbonylContact O-C 3.25Å; E212-C221 WeakPolarHBondContact O-CA 3.45Å; C214-C221 HydrophobicContact CB-CB 3.74Å; C214-C221 WeakPolarHBondContact CB-SG 3.45Å; C214-C221 WeakPolarHBondContact SG-CB 3.27Å; C214-C221 CovalentContact SG-SG 2.03Å; C214-C221 PolarHBondContact SG-SG 2.82Å; R218-C221 PolarHBondContact O-SG 3.25Å; R218-C221 VanDerWaalsContact O-SG 3.34Å; D219-C221 VanDerWaalsContact C-N 3.31Å; D219-C221 PolarHBondContact O-N 3.46Å; C221-T223 VanDerWaalsContact CB-O 3.31Å; C221-T223 WeakPolarHBondContact CB-O 3.47Å; C221-K224 HydrophobicContact CB-CG 3.93Å
222	A	96.7	Very high	88.8	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	29%	0.289	C	S	.	.	S	Bend	trans	-77	-29.7	168.5	0	0	0	0	0	112.2	V111 V114 L115 V118 E212	V111-A222 PolarHBondContact N-O 2.85Å; V114-A222 HydrophobicContact CB-CB 4.35Å; V114-A222 HydrophobicContact CG1-CB 3.99Å; L115-A222 HydrophobicContact CB-CB 4.1Å; L115-A222 HydrophobicContact CD1-CB 4.26Å; V118-A222 HydrophobicContact CG2-CB 4.4Å; E212-A222 HydrophobicContact CB-CB 4.04Å; E212-A222 WeakPolarHBondContact O-CA 3.49Å; E212-A222 WeakPolarHBondContact O-CB 3.48Å; E212-A222 PolarHBondContact O-N 3.36Å
223	T	96.4	Very high	88.7	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	147.9	173.1	56.7	0	0	0	0	110.6	V104 T108 M109 A161 E212 F213 C214 C221	V104-T223 HydrophobicContact CG1-CG2 4.49Å; T108-T223 HydrophobicContact CG2-CG2 4.2Å; M109-T223 CarbonylContact O-C 3.53Å; M109-T223 WeakPolarHBondContact O-CA 3.29Å; A161-T223 WeakPolarHBondContact O-CB 3.27Å; A161-T223 WeakPolarHBondContact O-CG2 3.43Å; A161-T223 PolarHBondContact O-OG1 3.33Å; E212-T223 PolarHBondContact O-N 3.22Å; F213-T223 WeakPolarHBondContact CA-OG1 3.49Å; F213-T223 HydrophobicContact CD1-CG2 4.13Å; F213-T223 HydrophobicContact CE1-CG2 4.45Å; C214-T223 VanDerWaalsContact CB-O 3.28Å; C214-T223 WeakPolarHBondContact CB-O 3.47Å; C214-T223 PolarHBondContact N-O 2.75Å; C214-T223 PolarHBondContact N-OG1 2.77Å; C221-T223 VanDerWaalsContact CB-O 3.31Å; C221-T223 WeakPolarHBondContact CB-O 3.47Å
224	K	91.4	Very high	88.6	Confident	64 Å²	64	60.8 Å²	60.8	28%	0.278	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	121	176.8	-61.7	-177.3	178.9	-174.7	0	109.9	M109 C221	M109-K224 HydrophobicContact CB-CB 4.27Å; M109-K224 WeakPolarHBondContact CB-O 3.15Å; M109-K224 PolarHBondContact N-O 2.94Å; M109-K224 PolarHBondContact O-N 3.27Å; C221-K224 HydrophobicContact CB-CG 3.93Å
225	F	90.1	Very high	88.7	Confident	24 Å²	24	62 Å²	62	11%	0.105	34%	0.342	C	S	.	.			trans	-85.1	149.1	174.1	-172.6	-103.4	0	0	0	111.6	E107 A160 C214 N227 Y228	E107-F225 HydrophobicContact CB-CD2 3.94Å; E107-F225 HydrophobicContact CB-CE2 3.41Å; E107-F225 VanDerWaalsContact CB-CE2 3.41Å; E107-F225 HydrophobicContact CB-CZ 4.09Å; E107-F225 HydrophobicContact CG-CE2 4.1Å; E107-F225 HydrophobicContact CG-CZ 4.4Å; A160-F225 HydrophobicContact CB-CB 4.06Å; A160-F225 HydrophobicContact CB-CD1 4.02Å; A160-F225 HydrophobicContact CB-CD2 3.5Å; A160-F225 VanDerWaalsContact CB-CD2 3.5Å; A160-F225 HydrophobicContact CB-CE1 4.39Å; A160-F225 HydrophobicContact CB-CE2 3.9Å; A160-F225 HydrophobicContact CB-CG 3.58Å; A160-F225 HydrophobicContact CB-CZ 4.36Å; C214-F225 PolarHBondContact O-N 3.41Å; F225-N227 VanDerWaalsContact CE1-CA 3.48Å; F225-N227 VanDerWaalsContact CZ-C 3.47Å; F225-Y228 HydrophobicContact CE1-CD1 4.38Å; F225-Y228 AromaticContact CE1-CD2 3.79Å; F225-Y228 HydrophobicContact CE1-CD2 3.79Å; F225-Y228 HydrophobicContact CE1-CE1 4.39Å; F225-Y228 AromaticContact CE1-CE2 3.81Å; F225-Y228 HydrophobicContact CE1-CE2 3.81Å; F225-Y228 HydrophobicContact CE1-CG 4.08Å; F225-Y228 HydrophobicContact CE2-CD1 4.05Å; F225-Y228 AromaticContact CE2-CE1 3.57Å; F225-Y228 HydrophobicContact CE2-CE1 3.57Å; F225-Y228 HydrophobicContact CE2-CE2 4.22Å; F225-Y228 AromaticContact CE2-CZ 3.65Å; F225-Y228 AromaticContact CZ-CD1 3.4Å; F225-Y228 HydrophobicContact CZ-CD1 3.4Å; F225-Y228 VanDerWaalsContact CZ-CD1 3.4Å; F225-Y228 AromaticContact CZ-CD2 3.59Å; F225-Y228 HydrophobicContact CZ-CD2 3.59Å; F225-Y228 AromaticContact CZ-CE1 3.32Å; F225-Y228 HydrophobicContact CZ-CE1 3.32Å; F225-Y228 AromaticContact CZ-CE2 3.52Å; F225-Y228 HydrophobicContact CZ-CE2 3.52Å; F225-Y228 AromaticContact CZ-CG 3.53Å; F225-Y228 HydrophobicContact CZ-CG 3.53Å; F225-Y228 AromaticContact CZ-CZ 3.38Å
226	T	83.9	Confident	89.2	Confident	71 Å²	71	61.1 Å²	61.1	44%	0.436	34%	0.336	S	S	.	.			trans	-100.3	-79.8	-177.3	47.4	0	0	0	0	111.7	E107 M109	E107-T226 PolarHBondContact O-OG1 2.97Å; M109-T226 HydrophobicContact CG-CG2 4.43Å; M109-T226 HydrophobicContact SD-CG2 4.23Å
227	N	84.8	Confident	89.9	Confident	58 Å²	58	58.5 Å²	58.5	31%	0.31	33%	0.33	S	S	.	.			trans	-163.2	158.8	170.6	58.6	39.4	0	0	0	110.4	F225 L229	F225-N227 VanDerWaalsContact CE1-CA 3.48Å; F225-N227 VanDerWaalsContact CZ-C 3.47Å; N227-L229 PolarHBondContact OD1-O 2.66Å
228	Y	85.1	Confident	90.8	Very high	32 Å²	32	58.3 Å²	58.3	13%	0.125	32%	0.319	C	S	.	.	S	Bend	trans	-89.1	-23.5	172.2	-73.2	-59.5	0	0	0	113.5	E105 A160 F225 P230 P411 L412	E105-Y228 WeakPolarHBondContact OE2-CE1 3.5Å; E105-Y228 PolarHBondContact OE2-OH 3.48Å; A160-Y228 HydrophobicContact CB-CE2 4.28Å; A160-Y228 WeakPolarHBondContact CB-OH 3.45Å; F225-Y228 HydrophobicContact CE1-CD1 4.38Å; F225-Y228 AromaticContact CE1-CD2 3.79Å; F225-Y228 HydrophobicContact CE1-CD2 3.79Å; F225-Y228 HydrophobicContact CE1-CE1 4.39Å; F225-Y228 AromaticContact CE1-CE2 3.81Å; F225-Y228 HydrophobicContact CE1-CE2 3.81Å; F225-Y228 HydrophobicContact CE1-CG 4.08Å; F225-Y228 HydrophobicContact CE2-CD1 4.05Å; F225-Y228 AromaticContact CE2-CE1 3.57Å; F225-Y228 HydrophobicContact CE2-CE1 3.57Å; F225-Y228 HydrophobicContact CE2-CE2 4.22Å; F225-Y228 AromaticContact CE2-CZ 3.65Å; F225-Y228 AromaticContact CZ-CD1 3.4Å; F225-Y228 HydrophobicContact CZ-CD1 3.4Å; F225-Y228 VanDerWaalsContact CZ-CD1 3.4Å; F225-Y228 AromaticContact CZ-CD2 3.59Å; F225-Y228 HydrophobicContact CZ-CD2 3.59Å; F225-Y228 AromaticContact CZ-CE1 3.32Å; F225-Y228 HydrophobicContact CZ-CE1 3.32Å; F225-Y228 AromaticContact CZ-CE2 3.52Å; F225-Y228 HydrophobicContact CZ-CE2 3.52Å; F225-Y228 AromaticContact CZ-CG 3.53Å; F225-Y228 HydrophobicContact CZ-CG 3.53Å; F225-Y228 AromaticContact CZ-CZ 3.38Å; Y228-P230 WeakPolarHBondContact O-CD 3.12Å; Y228-P411 HydrophobicContact CD1-CB 4.15Å; Y228-P411 HydrophobicContact CD1-CG 3.16Å; Y228-P411 HydrophobicContact CD2-CG 4.44Å; Y228-P411 HydrophobicContact CE1-CB 4.17Å; Y228-P411 HydrophobicContact CE1-CG 3.5Å; Y228-P411 VanDerWaalsContact CE1-CG 3.5Å; Y228-P411 HydrophobicContact CG-CB 4.48Å; Y228-P411 HydrophobicContact CG-CG 3.72Å; Y228-L412 VanDerWaalsContact CB-CD2 3.47Å; Y228-L412 HydrophobicContact CG-CD2 4.48Å
229	L	84.4	Confident	91.5	Very high	19 Å²	19	54.8 Å²	54.8	10%	0.099	31%	0.311	C	S	.	.	S	Bend	trans	-95.5	97.1	175.8	-171.9	66.6	0	0	0	110	N227 L334 L412 H430	N227-L229 PolarHBondContact OD1-O 2.66Å; L229-L334 HydrophobicContact CD1-CB 4.27Å; L229-L412 HydrophobicContact CB-CD1 4.2Å; L229-L412 HydrophobicContact CD1-CD1 3.66Å; L229-H430 HydrophobicContact CB-CB 4.05Å
230	P	83.7	Confident	92.1	Very high	13 Å²	13	49.8 Å²	49.8	8%	0.084	29%	0.285	C	S	.	.			trans	-70.5	155.2	-176.9	30.8	-40.2	0	0	0	112.8	Y42 Y228 L334 C337	Y42-P230 WeakPolarHBondContact OH-CB 3.4Å; Y42-P230 VanDerWaalsContact OH-CG 3.31Å; Y42-P230 WeakPolarHBondContact OH-CG 3.39Å; Y228-P230 WeakPolarHBondContact O-CD 3.12Å; P230-L334 HydrophobicContact CG-CD1 4.31Å; P230-C337 WeakPolarHBondContact CG-SG 3Å
231	N	88.3	Confident	92.5	Very high	148 Å²	148	45.4 Å²	45.4	79%	0.791	26%	0.261	S	S	*	.			trans	-103	91.6	169	-176.2	1.7	0	0	0	110.2	G233	N231-G233 PolarHBondContact OD1-N 3.31Å
232	C	93	Very high	92.6	Very high	47 Å²	47	45.4 Å²	45.4	32%	0.318	26%	0.261	S	S	.	.			trans	-96.8	18.8	178.4	-60.1	0	0	0	0	113.1	R336 C337	C232-R336 HydrophobicContact CB-CB 4.32Å; C232-R336 HydrophobicContact CB-CG 3.89Å; C232-R336 WeakPolarHBondContact O-CG 3.44Å; C232-C337 HydrophobicContact CB-CB 3.89Å; C232-C337 WeakPolarHBondContact CB-SG 3.46Å; C232-C337 WeakPolarHBondContact SG-CA 3.4Å; C232-C337 WeakPolarHBondContact SG-CB 3.37Å; C232-C337 CovalentContact SG-SG 2.03Å; C232-C337 PolarHBondContact SG-SG 2.87Å
233	G	93.4	Very high	92.7	Very high	43 Å²	43	45.5 Å²	45.5	44%	0.443	26%	0.262	S	S	.	.	S	Bend	trans	102.2	-162.5	-177	0	0	0	0	0	113.4	N231	N231-G233 PolarHBondContact OD1-N 3.31Å
234	S	94.8	Very high	92.9	Very high	92 Å²	92	45.5 Å²	45.5	64%	0.643	26%	0.262	S	S	*	.	S	Bend	trans	-58.7	137.4	-175.6	-55.7	0	0	0	0	111.7	R336	S234-R336 WeakPolarHBondContact O-CG 3.44Å; S234-R336 VanDerWaalsContact O-CZ 3.24Å; S234-R336 PolarHBondContact O-NE 3.1Å; S234-R336 PolarHBondContact O-NH2 3.13Å; S234-R336 VanDerWaalsContact O-NH2 3.12Å
235	P	96.1	Very high	93.2	Very high	32 Å²	32	42.5 Å²	42.5	21%	0.208	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-54.1	155.4	-178.9	-24.4	32.2	0	0	0	113.7	R332 R333 R336	P235-R332 HydrophobicContact CB-CB 3.85Å; P235-R333 HydrophobicContact CB-CG 4.29Å; P235-R333 HydrophobicContact CG-CG 3.84Å; P235-R336 PolarHBondContact O-NH2 3.39Å; P235-R336 VanDerWaalsContact O-NH2 3.08Å
236	V	97.1	Very high	93.6	Very high	9 Å²	9	41.7 Å²	41.7	6%	0.055	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-57.5	141.9	169.2	172.4	0	0	0	0	109.6	K238 N240 I241 R332 L335 R336	V236-K238 PolarHBondContact O-N 2.92Å; V236-N240 HydrophobicContact CG1-CB 3.93Å; V236-I241 HydrophobicContact CG1-CD1 4.32Å; V236-I241 HydrophobicContact CG1-CG1 4.19Å; V236-R332 HydrophobicContact CB-CB 4.48Å; V236-R332 PolarHBondContact N-O 3.06Å; V236-R332 WeakPolarHBondContact O-CG 3.42Å; V236-R332 PolarHBondContact O-NE 3.19Å; V236-L335 HydrophobicContact CB-CB 4.48Å; V236-L335 HydrophobicContact CG2-CB 3.81Å; V236-R336 HydrophobicContact CG2-CB 4.36Å
237	S	97.3	Very high	94.2	Very high	50 Å²	50	38.6 Å²	38.6	35%	0.35	23%	0.226	S	C	.	.	P	Polyproline II helix	trans	-61.1	137.4	176.6	180	0	0	0	0	110.3	N239 N240	S237-N239 PolarHBondContact O-N 3.04Å; S237-N239 VanDerWaalsContact O-N 3.13Å; S237-N239 PolarHBondContact OG-N 3.49Å; S237-N240 PolarHBondContact O-N 3.06Å
238	K	95.9	Very high	94.8	Very high	106 Å²	106	36 Å²	36	46%	0.461	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-58.2	-22.6	172	45.7	-177.6	170.4	-176.3	0	113	V236 N240 V268	V236-K238 PolarHBondContact O-N 2.92Å; K238-N240 VanDerWaalsContact C-N 3.28Å; K238-N240 PolarHBondContact O-N 3.07Å; K238-V268 HydrophobicContact CB-CG2 3.82Å; K238-V268 HydrophobicContact CD-CG2 3.99Å; K238-V268 HydrophobicContact CG-CG2 3.89Å
239	N	97.4	Very high	95.3	Very high	76 Å²	76	40.2 Å²	40.2	41%	0.406	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-80.7	-3.3	174.4	-58.4	-12.1	0	0	0	113.5	S237 Y269 V314	S237-N239 PolarHBondContact O-N 3.04Å; S237-N239 VanDerWaalsContact O-N 3.13Å; S237-N239 PolarHBondContact OG-N 3.49Å; N239-Y269 HydrophobicContact CB-CE2 4.31Å; N239-Y269 WeakPolarHBondContact O-CE2 3.27Å; N239-V314 WeakPolarHBondContact O-CG1 3.4Å
240	N	98.2	Very high	95.9	Very high	58 Å²	58	46.4 Å²	46.4	31%	0.31	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-105.3	12.9	178.2	-73.2	23.8	0	0	0	112.5	V236 S237 K238 D315 W316	V236-N240 HydrophobicContact CG1-CB 3.93Å; S237-N240 PolarHBondContact O-N 3.06Å; K238-N240 VanDerWaalsContact C-N 3.28Å; K238-N240 PolarHBondContact O-N 3.07Å; N240-D315 HydrophobicContact CB-CB 4.46Å; N240-D315 PolarHBondContact ND2-OD2 2.97Å; N240-D315 PolarHBondContact O-N 3.07Å; N240-W316 PolarHBondContact O-N 2.64Å; N240-W316 VanDerWaalsContact O-N 3.1Å
241	I	98.7	Very high	96.4	Very high	9 Å²	9	48.6 Å²	48.6	5%	0.046	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	128.5	-179.1	-56.8	-179.2	0	0	0	109	V236 V243 W316 V318 R332 L335	V236-I241 HydrophobicContact CG1-CD1 4.32Å; V236-I241 HydrophobicContact CG1-CG1 4.19Å; I241-V243 HydrophobicContact CG2-CG2 4.18Å; I241-W316 HydrophobicContact CG1-CB 4.24Å; I241-V318 HydrophobicContact CG2-CG2 3.59Å; I241-R332 HydrophobicContact CD1-CG 3.48Å; I241-R332 VanDerWaalsContact CD1-CG 3.48Å; I241-L335 HydrophobicContact CD1-CD1 3.98Å; I241-L335 HydrophobicContact CG1-CD1 4.48Å
242	F	98.9	Very high	96.9	Very high	3 Å²	3	42.4 Å²	42.4	1%	0.013	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	127.3	169.5	-177.2	-87.4	0	0	0	109	A244 E271 Y273 F306 V311 V314 W316 L317 V318	F242-A244 HydrophobicContact CE1-CB 4.27Å; F242-E271 HydrophobicContact CE2-CG 4.17Å; F242-E271 HydrophobicContact CZ-CB 4.04Å; F242-E271 HydrophobicContact CZ-CG 3.8Å; F242-Y273 HydrophobicContact CE1-CE2 4.41Å; F242-F306 HydrophobicContact CB-CD2 4.05Å; F242-F306 HydrophobicContact CB-CE2 3.74Å; F242-F306 HydrophobicContact CD1-CD2 4.01Å; F242-F306 HydrophobicContact CG-CD2 4.12Å; F242-F306 HydrophobicContact CG-CE2 4.31Å; F242-V311 HydrophobicContact CD2-CB 4.09Å; F242-V311 HydrophobicContact CD2-CG1 4.48Å; F242-V311 HydrophobicContact CD2-CG2 4.44Å; F242-V311 HydrophobicContact CE2-CB 3.65Å; F242-V311 HydrophobicContact CE2-CG1 3.58Å; F242-V311 HydrophobicContact CE2-CG2 4.29Å; F242-V311 HydrophobicContact CZ-CB 4.19Å; F242-V311 HydrophobicContact CZ-CG1 3.71Å; F242-V314 HydrophobicContact CB-CG2 3.6Å; F242-W316 PolarHBondContact N-O 2.97Å; F242-L317 HydrophobicContact CD1-CD1 3.69Å; F242-L317 HydrophobicContact CE1-CD1 4.36Å; F242-V318 PolarHBondContact O-N 3.3Å
243	V	98.9	Very high	97.1	Very high	2 Å²	2	44.7 Å²	44.7	1%	0.012	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	125.2	-179.9	-172.3	0	0	0	0	110.1	I241 V245 W263 A267 Y269 L270 E271 V318 V320 L328	I241-V243 HydrophobicContact CG2-CG2 4.18Å; V243-V245 HydrophobicContact CG1-CG2 4.25Å; V243-W263 HydrophobicContact CG1-CH2 3.98Å; V243-W263 HydrophobicContact CG1-CZ3 3.89Å; V243-A267 HydrophobicContact CG2-CB 4.07Å; V243-Y269 PolarHBondContact N-O 3.26Å; V243-L270 HydrophobicContact CB-CB 4.3Å; V243-L270 HydrophobicContact CB-CD1 4.02Å; V243-L270 HydrophobicContact CB-CG 4.15Å; V243-L270 HydrophobicContact CG1-CD1 3.99Å; V243-L270 HydrophobicContact CG1-CG 4.41Å; V243-L270 VanDerWaalsContact O-CA 3.27Å; V243-L270 WeakPolarHBondContact O-CA 3.38Å; V243-E271 PolarHBondContact O-N 2.92Å; V243-V318 CarbonylContact C-O 3.52Å; V243-V318 WeakPolarHBondContact CA-O 3.43Å; V243-V318 HydrophobicContact CG2-CB 4.38Å; V243-V320 HydrophobicContact CG1-CG2 4.2Å; V243-L328 HydrophobicContact CG2-CD1 4.37Å; V243-L328 HydrophobicContact CG2-CD2 4.24Å
244	A	98.8	Very high	97.1	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	113.7	174.3	0	0	0	0	0	109.3	F242 Y273 I302 L317 V318 I319 V320	F242-A244 HydrophobicContact CE1-CB 4.27Å; A244-Y273 HydrophobicContact CB-CD2 3.86Å; A244-Y273 HydrophobicContact CB-CE2 3.49Å; A244-Y273 VanDerWaalsContact CB-CE2 3.49Å; A244-I302 HydrophobicContact CB-CD1 4.48Å; A244-I302 HydrophobicContact CB-CG2 3.53Å; A244-L317 HydrophobicContact CB-CD1 4.07Å; A244-V318 PolarHBondContact N-O 3.05Å; A244-I319 HydrophobicContact CB-CG1 4.41Å; A244-I319 WeakPolarHBondContact O-CA 3.34Å; A244-V320 PolarHBondContact O-N 2.81Å
245	V	98.7	Very high	97.2	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	114.9	177	-173.2	0	0	0	0	109	V243 W263 L270 E271 Y272 Y273 V320 D322	V243-V245 HydrophobicContact CG1-CG2 4.25Å; V245-W263 HydrophobicContact CG2-CH2 3.73Å; V245-W263 HydrophobicContact CG2-CZ2 4.48Å; V245-L270 HydrophobicContact CG2-CD1 3.99Å; V245-L270 HydrophobicContact CG2-CD2 4.2Å; V245-L270 HydrophobicContact CG2-CG 4.13Å; V245-E271 PolarHBondContact N-O 2.91Å; V245-Y272 HydrophobicContact CB-CD1 3.68Å; V245-Y272 HydrophobicContact CB-CE1 3.99Å; V245-Y272 HydrophobicContact CG1-CD1 3.79Å; V245-Y272 HydrophobicContact CG1-CE1 3.92Å; V245-Y272 HydrophobicContact CG2-CD1 4.19Å; V245-Y272 HydrophobicContact CG2-CE1 4.07Å; V245-Y273 PolarHBondContact O-N 2.98Å; V245-V320 WeakPolarHBondContact CA-O 3.26Å; V245-V320 HydrophobicContact CB-CG2 4.48Å; V245-V320 HydrophobicContact CG2-CG2 4Å; V245-D322 HydrophobicContact CG1-CB 4.27Å
246	K	98.1	Very high	97.3	Very high	7 Å²	7	43.4 Å²	43.4	3%	0.03	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	126.4	171.9	-70.1	-176.4	-72.5	152.2	0	109.4	K298 I302 I319 V320 D321 D322 D392	K246-K298 HydrophobicContact CG-CD 4.37Å; K246-I302 HydrophobicContact CD-CD1 4.39Å; K246-I302 HydrophobicContact CG-CD1 3.73Å; K246-I319 HydrophobicContact CD-CG2 4.24Å; K246-I319 HydrophobicContact CG-CG2 4.32Å; K246-V320 PolarHBondContact N-O 3.35Å; K246-D321 WeakPolarHBondContact CE-OD1 3.45Å; K246-D321 IonicContact NZ-OD1 3.94Å; K246-D321 PolarHBondContact NZ-OD1 2.66Å; K246-D322 WeakPolarHBondContact O-CB 3.35Å; K246-D322 PolarHBondContact O-N 2.86Å; K246-D392 IonicContact NZ-OD1 3.51Å; K246-D392 IonicContact NZ-OD2 3.07Å; K246-D392 PolarHBondContact NZ-OD2 3.15Å
247	T	97.4	Very high	97.3	Very high	6 Å²	6	46 Å²	46	4%	0.037	24%	0.239	C	C	.	.			trans	-145.2	-176.7	174.7	-166.9	0	0	0	0	110.6	V256 Y273 K298 D322	T247-V256 HydrophobicContact CG2-CG2 4.38Å; T247-Y273 PolarHBondContact N-O 3.37Å; T247-K298 PolarHBondContact O-NZ 2.95Å; T247-D322 WeakPolarHBondContact CA-OD2 3.45Å; T247-D322 VanDerWaalsContact CB-OD2 3.24Å; T247-D322 WeakPolarHBondContact CB-OD2 3.45Å; T247-D322 PolarHBondContact OG1-OD2 2.66Å
248	C	96.5	Very high	97.4	Very high	5 Å²	5	44.4 Å²	44.4	3%	0.034	23%	0.227	C	C	.	.			trans	-150.1	164.5	168.8	65	0	0	0	0	110.4	K250 Y251 H252 S274 D275 N290	C248-K250 PolarHBondContact O-N 2.7Å; C248-Y251 PolarHBondContact O-N 3.05Å; C248-Y251 WeakPolarHBondContact SG-CD2 3.5Å; C248-H252 PolarHBondContact O-CD2 3.01Å; C248-S274 WeakPolarHBondContact CA-OG 3.21Å; C248-D275 WeakPolarHBondContact CA-OD1 3.37Å; C248-D275 VanDerWaalsContact CB-OD1 3.25Å; C248-D275 WeakPolarHBondContact CB-OD1 3.39Å; C248-N290 HydrophobicContact CB-CB 4.11Å; C248-N290 WeakPolarHBondContact CB-OD1 3.22Å
249	E	96.5	Very high	97.5	Very high	120 Å²	120	39.3 Å²	39.3	56%	0.561	21%	0.205	S	C	*	.	G	3₁₀ helix	trans	-46.7	-41.8	-176.6	-173.7	175.6	-150.9	0	0	112.8	Y251 H252 S274 D275 V276	E249-Y251 PolarHBondContact O-N 3.38Å; E249-Y251 VanDerWaalsContact O-N 3.09Å; E249-H252 WeakPolarHBondContact O-CB 3.48Å; E249-H252 PolarHBondContact O-N 3.1Å; E249-S274 PolarHBondContact N-OG 3.15Å; E249-D275 PolarHBondContact N-OD1 2.89Å; E249-V276 HydrophobicContact CB-CG1 4.28Å; E249-V276 HydrophobicContact CB-CG2 3.7Å; E249-V276 HydrophobicContact CG-CG2 3.9Å
250	K	95.4	Very high	97.5	Very high	149 Å²	149	39.5 Å²	39.5	65%	0.648	20%	0.202	S	C	*	.	G	3₁₀ helix	trans	-53.9	-31.1	178.9	-177.4	-175.7	175.1	-168.4	0	113.6	C248	C248-K250 PolarHBondContact O-N 2.7Å
251	Y	96.1	Very high	97.4	Very high	59 Å²	59	40.2 Å²	40.2	23%	0.231	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-106.4	-1.4	-171.7	-63.1	-44.9	0	0	0	114.6	C248 E249 S253 V254 R255 V256 D322	C248-Y251 PolarHBondContact O-N 3.05Å; C248-Y251 WeakPolarHBondContact SG-CD2 3.5Å; E249-Y251 PolarHBondContact O-N 3.38Å; E249-Y251 VanDerWaalsContact O-N 3.09Å; Y251-S253 VanDerWaalsContact C-N 3.26Å; Y251-S253 PolarHBondContact O-N 3.45Å; Y251-V254 HydrophobicContact CD1-CG2 3.98Å; Y251-V254 PolarHBondContact O-N 2.7Å; Y251-R255 HydrophobicContact CD1-CG 4.15Å; Y251-R255 HydrophobicContact CG-CG 4.22Å; Y251-R255 PolarHBondContact O-N 2.87Å; Y251-V256 PolarHBondContact O-N 2.77Å; Y251-D322 WeakPolarHBondContact CB-OD2 3.37Å; Y251-D322 WeakPolarHBondContact CD2-OD2 3.24Å
252	H	97.6	Very high	97.3	Very high	17 Å²	17	39.9 Å²	39.9	8%	0.079	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-38.9	177.7	-76.4	-160.1	0	0	0	113.1	C248 E249 P257 S274 D278 I281	C248-H252 PolarHBondContact O-CD2 3.01Å; E249-H252 WeakPolarHBondContact O-CB 3.48Å; E249-H252 PolarHBondContact O-N 3.1Å; H252-P257 WeakPolarHBondContact O-CD 3.11Å; H252-S274 PolarHBondContact NE2-OG 3.45Å; H252-D278 IonicContact CE1-OD2 3.69Å; H252-D278 IonicContact CG-OD2 3.87Å; H252-D278 IonicContact ND1-OD2 2.87Å; H252-D278 PolarHBondContact ND1-OD2 3.24Å; H252-I281 HydrophobicContact CB-CD1 3.42Å; H252-I281 VanDerWaalsContact CB-CD1 3.42Å
253	S	96.6	Very high	97.2	Very high	95 Å²	95	39.8 Å²	39.8	66%	0.664	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.5	-14.7	-176.2	60.3	0	0	0	0	114.6	Y251	Y251-S253 VanDerWaalsContact C-N 3.26Å; Y251-S253 PolarHBondContact O-N 3.45Å
254	V	94.9	Very high	97.1	Very high	86 Å²	86	42.3 Å²	42.3	52%	0.521	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-120.6	-36.2	-169.4	-71.1	0	0	0	0	114.3	Y251	Y251-V254 HydrophobicContact CD1-CG2 3.98Å; Y251-V254 PolarHBondContact O-N 2.7Å
255	R	96.8	Very high	97	Very high	54 Å²	54	48.6 Å²	48.6	20%	0.204	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.4	-43.8	-176.4	-62.9	-177.1	177.8	-160.7	-14.4	112.7	Y251 P257 V258 V259 D322 D323	Y251-R255 HydrophobicContact CD1-CG 4.15Å; Y251-R255 HydrophobicContact CG-CG 4.22Å; Y251-R255 PolarHBondContact O-N 2.87Å; R255-P257 VanDerWaalsContact C-CD 3.44Å; R255-P257 VanDerWaalsContact C-N 3.32Å; R255-V258 VanDerWaalsContact O-CB 3.29Å; R255-V258 WeakPolarHBondContact O-CB 3.4Å; R255-V258 PolarHBondContact O-N 3.49Å; R255-V259 PolarHBondContact O-N 2.94Å; R255-D322 HydrophobicContact CB-CB 4.06Å; R255-D322 VanDerWaalsContact CD-CG 3.48Å; R255-D322 WeakPolarHBondContact CD-OD1 3.19Å; R255-D322 IonicContact CZ-OD1 3.68Å; R255-D322 IonicContact NE-OD1 3.76Å; R255-D322 IonicContact NH1-OD1 2.81Å; R255-D322 PolarHBondContact NH1-OD1 3.5Å; R255-D323 VanDerWaalsContact CZ-CG 3.47Å; R255-D323 IonicContact CZ-OD1 3.19Å; R255-D323 IonicContact CZ-OD2 2.95Å; R255-D323 IonicContact NH1-OD1 3.81Å; R255-D323 PolarHBondContact NH1-OD1 3.22Å; R255-D323 VanDerWaalsContact NH1-OD1 3.07Å; R255-D323 IonicContact NH1-OD2 3.94Å; R255-D323 PolarHBondContact NH1-OD2 2.89Å; R255-D323 IonicContact NH2-OD2 3.8Å; R255-D323 PolarHBondContact NH2-OD2 3.13Å
256	V	97.8	Very high	96.8	Very high	1 Å²	1	50.5 Å²	50.5	1%	0.006	26%	0.258	C	S	.	.	H	α-helix	trans	-54.7	-41.2	176.8	176	0	0	0	0	112.8	T247 Y251 V258 V259 K260 Y272 I281	T247-V256 HydrophobicContact CG2-CG2 4.38Å; Y251-V256 PolarHBondContact O-N 2.77Å; V256-V258 PolarHBondContact O-N 2.75Å; V256-V259 WeakPolarHBondContact O-CB 3.34Å; V256-V259 PolarHBondContact O-N 3.23Å; V256-V259 VanDerWaalsContact O-N 3.07Å; V256-K260 HydrophobicContact CG1-CG 4.1Å; V256-K260 VanDerWaalsContact O-CG 3.24Å; V256-K260 WeakPolarHBondContact O-CG 3.46Å; V256-K260 PolarHBondContact O-N 3.32Å; V256-Y272 HydrophobicContact CG1-CD1 4.37Å; V256-Y272 HydrophobicContact CG1-CE1 3.93Å; V256-Y272 HydrophobicContact CG2-CD1 4.48Å; V256-I281 HydrophobicContact CB-CD1 4.2Å; V256-I281 HydrophobicContact CG1-CD1 3.96Å; V256-I281 HydrophobicContact CG1-CG1 4.02Å; V256-I281 HydrophobicContact CG1-CG2 3.68Å; V256-I281 HydrophobicContact CG2-CD1 4.38Å
257	P	97.7	Very high	96.8	Very high	62 Å²	62	51.3 Å²	51.3	40%	0.403	27%	0.265	S	S	.	.	H	α-helix	trans	-60.6	-28.9	176.9	-25.7	37.3	0	0	0	113.8	H252 R255 K260 S261	H252-P257 WeakPolarHBondContact O-CD 3.11Å; R255-P257 VanDerWaalsContact C-CD 3.44Å; R255-P257 VanDerWaalsContact C-N 3.32Å; P257-K260 PolarHBondContact O-N 2.57Å; P257-S261 WeakPolarHBondContact O-CB 3.38Å; P257-S261 PolarHBondContact O-N 3.2Å; P257-S261 PolarHBondContact O-OG 2.91Å
258	V	97.8	Very high	96.8	Very high	17 Å²	17	54.1 Å²	54.1	10%	0.103	28%	0.282	C	S	.	.	H	α-helix	trans	-67.7	-47.3	173.9	-179.3	0	0	0	0	109.9	R255 V256 K260 S261 T262 L325 P442 V443	R255-V258 VanDerWaalsContact O-CB 3.29Å; R255-V258 WeakPolarHBondContact O-CB 3.4Å; R255-V258 PolarHBondContact O-N 3.49Å; V256-V258 PolarHBondContact O-N 2.75Å; V258-K260 VanDerWaalsContact C-N 3.28Å; V258-K260 PolarHBondContact O-N 3.47Å; V258-S261 PolarHBondContact O-N 3.38Å; V258-S261 PolarHBondContact O-OG 3.26Å; V258-T262 HydrophobicContact CG1-CG2 4.26Å; V258-T262 WeakPolarHBondContact O-CB 3.37Å; V258-T262 WeakPolarHBondContact O-CG2 3.42Å; V258-T262 PolarHBondContact O-N 3.25Å; V258-T262 PolarHBondContact O-OG1 3.37Å; V258-L325 HydrophobicContact CG1-CD2 4Å; V258-P442 HydrophobicContact CB-CG 4.45Å; V258-P442 HydrophobicContact CG1-CB 3.83Å; V258-P442 HydrophobicContact CG1-CG 3.74Å; V258-P442 HydrophobicContact CG2-CG 3.86Å; V258-V443 HydrophobicContact CG1-CG2 4.34Å
259	V	98	Very high	96.9	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-54.6	-47.7	174.6	178.3	0	0	0	0	110.4	R255 V256 S261 T262 W263 E264 Y272	R255-V259 PolarHBondContact O-N 2.94Å; V256-V259 WeakPolarHBondContact O-CB 3.34Å; V256-V259 PolarHBondContact O-N 3.23Å; V256-V259 VanDerWaalsContact O-N 3.07Å; V259-S261 PolarHBondContact O-N 2.92Å; V259-T262 PolarHBondContact O-N 3.45Å; V259-T262 PolarHBondContact O-OG1 3.32Å; V259-W263 HydrophobicContact CB-CZ2 4.35Å; V259-W263 HydrophobicContact CG1-CD2 4.31Å; V259-W263 HydrophobicContact CG1-CH2 3.74Å; V259-W263 HydrophobicContact CG1-CZ2 3.47Å; V259-W263 VanDerWaalsContact CG1-CZ2 3.47Å; V259-W263 HydrophobicContact CG1-CZ3 4.26Å; V259-W263 HydrophobicContact CG2-CZ2 4.09Å; V259-W263 PolarHBondContact O-N 3.46Å; V259-E264 HydrophobicContact CG1-CB 4.2Å; V259-E264 WeakPolarHBondContact O-CB 3.43Å; V259-E264 PolarHBondContact O-N 2.91Å; V259-E264 VanDerWaalsContact O-N 3.13Å; V259-Y272 HydrophobicContact CB-CE1 4.42Å; V259-Y272 HydrophobicContact CG1-CE1 4.01Å; V259-Y272 WeakPolarHBondContact CG1-OH 3.12Å
260	K	97.4	Very high	97	Very high	80 Å²	80	53.6 Å²	53.6	35%	0.348	28%	0.278	S	S	.	.	H	α-helix	trans	-62.3	-42.6	-179.5	-53.8	-140	166.9	-174.9	0	114	V256 P257 V258 T262 E264	V256-K260 HydrophobicContact CG1-CG 4.1Å; V256-K260 VanDerWaalsContact O-CG 3.24Å; V256-K260 WeakPolarHBondContact O-CG 3.46Å; V256-K260 PolarHBondContact O-N 3.32Å; P257-K260 PolarHBondContact O-N 2.57Å; V258-K260 VanDerWaalsContact C-N 3.28Å; V258-K260 PolarHBondContact O-N 3.47Å; K260-T262 VanDerWaalsContact C-N 3.33Å; K260-E264 WeakPolarHBondContact CA-OE2 3.43Å; K260-E264 VanDerWaalsContact CB-OE2 3.3Å; K260-E264 WeakPolarHBondContact CB-OE2 3.44Å; K260-E264 WeakPolarHBondContact CD-OE2 3.42Å; K260-E264 WeakPolarHBondContact CG-OE2 3.34Å
261	S	96.7	Very high	97.1	Very high	73 Å²	73	48.1 Å²	48.1	51%	0.51	25%	0.254	S	S	.	.	H	α-helix	trans	-79.1	-16	-177.1	57	0	0	0	0	113.6	P257 V258 V259	P257-S261 WeakPolarHBondContact O-CB 3.38Å; P257-S261 PolarHBondContact O-N 3.2Å; P257-S261 PolarHBondContact O-OG 2.91Å; V258-S261 PolarHBondContact O-N 3.38Å; V258-S261 PolarHBondContact O-OG 3.26Å; V259-S261 PolarHBondContact O-N 2.92Å
262	T	96.8	Very high	97.2	Very high	2 Å²	2	45.6 Å²	45.6	1%	0.012	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.3	-93	-176.2	57.8	0	0	0	0	112.1	V258 V259 K260 K265 V443 Y446	V258-T262 HydrophobicContact CG1-CG2 4.26Å; V258-T262 WeakPolarHBondContact O-CB 3.37Å; V258-T262 WeakPolarHBondContact O-CG2 3.42Å; V258-T262 PolarHBondContact O-N 3.25Å; V258-T262 PolarHBondContact O-OG1 3.37Å; V259-T262 PolarHBondContact O-N 3.45Å; V259-T262 PolarHBondContact O-OG1 3.32Å; K260-T262 VanDerWaalsContact C-N 3.33Å; T262-K265 VanDerWaalsContact O-CE 3.26Å; T262-K265 WeakPolarHBondContact O-CE 3.37Å; T262-V443 HydrophobicContact CG2-CG1 4.45Å; T262-V443 HydrophobicContact CG2-CG2 4.19Å; T262-Y446 HydrophobicContact CG2-CD1 3.82Å; T262-Y446 HydrophobicContact CG2-CG 3.84Å
263	W	96.9	Very high	97.3	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.5	-14.1	-163.5	59.5	-100.9	0	0	0	114.8	V243 V245 V259 K265 H266 L270 V320 T324 I326 L328 Y446	V243-W263 HydrophobicContact CG1-CH2 3.98Å; V243-W263 HydrophobicContact CG1-CZ3 3.89Å; V245-W263 HydrophobicContact CG2-CH2 3.73Å; V245-W263 HydrophobicContact CG2-CZ2 4.48Å; V259-W263 HydrophobicContact CB-CZ2 4.35Å; V259-W263 HydrophobicContact CG1-CD2 4.31Å; V259-W263 HydrophobicContact CG1-CH2 3.74Å; V259-W263 HydrophobicContact CG1-CZ2 3.47Å; V259-W263 VanDerWaalsContact CG1-CZ2 3.47Å; V259-W263 HydrophobicContact CG1-CZ3 4.26Å; V259-W263 HydrophobicContact CG2-CZ2 4.09Å; V259-W263 PolarHBondContact O-N 3.46Å; W263-K265 PolarHBondContact O-N 3.07Å; W263-K265 VanDerWaalsContact O-N 3.15Å; W263-H266 WeakPolarHBondContact O-CB 3.43Å; W263-H266 PolarHBondContact O-N 3.47Å; W263-L270 HydrophobicContact CH2-CD1 4.12Å; W263-L270 HydrophobicContact CZ3-CD1 3.67Å; W263-V320 HydrophobicContact CH2-CG2 3.75Å; W263-V320 HydrophobicContact CZ2-CG2 3.96Å; W263-T324 PolarHBondContact NE1-O 2.84Å; W263-T324 VanDerWaalsContact NE1-O 3.1Å; W263-I326 WeakPolarHBondContact CB-O 3.49Å; W263-I326 HydrophobicContact CD2-CG2 3.52Å; W263-I326 HydrophobicContact CE3-CG2 3.77Å; W263-I326 HydrophobicContact CG-CG2 3.93Å; W263-I326 HydrophobicContact CH2-CG2 4.27Å; W263-I326 HydrophobicContact CZ2-CG2 4.04Å; W263-I326 HydrophobicContact CZ3-CG2 4.16Å; W263-L328 HydrophobicContact CE3-CD1 4.06Å; W263-L328 HydrophobicContact CE3-CG 4.4Å; W263-L328 HydrophobicContact CZ3-CD1 4.46Å; W263-Y446 HydrophobicContact CB-CD2 4.46Å; W263-Y446 HydrophobicContact CB-CE2 3.64Å; W263-Y446 HydrophobicContact CG-CE2 4.44Å
264	E	97.3	Very high	97.3	Very high	55 Å²	55	40.5 Å²	40.5	26%	0.257	21%	0.211	S	C	.	.	G	3₁₀ helix	trans	-52.5	-40.4	-179.2	-170.2	-166	155.8	0	0	111.8	V259 K260 H266 A267 L270 Y272	V259-E264 HydrophobicContact CG1-CB 4.2Å; V259-E264 WeakPolarHBondContact O-CB 3.43Å; V259-E264 PolarHBondContact O-N 2.91Å; V259-E264 VanDerWaalsContact O-N 3.13Å; K260-E264 WeakPolarHBondContact CA-OE2 3.43Å; K260-E264 VanDerWaalsContact CB-OE2 3.3Å; K260-E264 WeakPolarHBondContact CB-OE2 3.44Å; K260-E264 WeakPolarHBondContact CD-OE2 3.42Å; K260-E264 WeakPolarHBondContact CG-OE2 3.34Å; E264-H266 PolarHBondContact O-N 3.32Å; E264-A267 WeakPolarHBondContact O-CB 3.38Å; E264-A267 PolarHBondContact O-N 2.96Å; E264-L270 HydrophobicContact CG-CD1 4.03Å; E264-L270 HydrophobicContact CG-CD2 4.45Å; E264-Y272 PolarHBondContact OE2-OH 3.48Å
265	K	95.4	Very high	97.3	Very high	133 Å²	133	38.3 Å²	38.3	58%	0.578	20%	0.196	S	C	*	.	G	3₁₀ helix	trans	-56.9	-15.9	179.5	71.4	-169.7	177.8	-162.3	0	114.9	T262 W263	T262-K265 VanDerWaalsContact O-CE 3.26Å; T262-K265 WeakPolarHBondContact O-CE 3.37Å; W263-K265 PolarHBondContact O-N 3.07Å; W263-K265 VanDerWaalsContact O-N 3.15Å
266	H	95.9	Very high	97.3	Very high	40 Å²	40	37.7 Å²	37.7	19%	0.185	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-95.3	-6.2	177.7	-61.1	-61.3	0	0	0	113.3	W263 E264 L328 L455	W263-H266 WeakPolarHBondContact O-CB 3.43Å; W263-H266 PolarHBondContact O-N 3.47Å; E264-H266 PolarHBondContact O-N 3.32Å; H266-L328 HydrophobicContact CB-CB 3.96Å; H266-L328 HydrophobicContact CB-CD1 3.99Å; H266-L328 HydrophobicContact CB-CG 4.47Å; H266-L455 WeakPolarHBondContact CE1-CD1 3.17Å
267	A	96.8	Very high	97.2	Very high	23 Å²	23	42.8 Å²	42.8	19%	0.19	23%	0.23	C	C	.	.			trans	-92.2	131.8	175.3	0	0	0	0	0	110.7	V243 E264 L270 L328	V243-A267 HydrophobicContact CG2-CB 4.07Å; E264-A267 WeakPolarHBondContact O-CB 3.38Å; E264-A267 PolarHBondContact O-N 2.96Å; A267-L270 HydrophobicContact CB-CB 3.93Å; A267-L270 HydrophobicContact CB-CD1 3.85Å; A267-L328 HydrophobicContact CB-CD1 3.68Å
268	V	97.3	Very high	97.2	Very high	65 Å²	65	41.8 Å²	41.8	39%	0.394	22%	0.221	S	C	.	.	S	Bend	trans	-88.4	-41.6	173	173.2	0	0	0	0	110.8	K238	K238-V268 HydrophobicContact CB-CG2 3.82Å; K238-V268 HydrophobicContact CD-CG2 3.99Å; K238-V268 HydrophobicContact CG-CG2 3.89Å
269	Y	98.4	Very high	97.1	Very high	77 Å²	77	45.5 Å²	45.5	30%	0.302	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	111.8	176.1	-53.3	-56.2	0	0	0	108.8	N239 V243 P312 V314	N239-Y269 HydrophobicContact CB-CE2 4.31Å; N239-Y269 WeakPolarHBondContact O-CE2 3.27Å; V243-Y269 PolarHBondContact N-O 3.26Å; Y269-P312 HydrophobicContact CD1-CG 3.64Å; Y269-P312 HydrophobicContact CD2-CB 4.19Å; Y269-P312 HydrophobicContact CD2-CG 4.16Å; Y269-P312 HydrophobicContact CE1-CB 4.32Å; Y269-P312 HydrophobicContact CE1-CG 3.61Å; Y269-P312 HydrophobicContact CE2-CB 3.97Å; Y269-P312 HydrophobicContact CE2-CG 4.11Å; Y269-P312 HydrophobicContact CG-CB 4.43Å; Y269-P312 HydrophobicContact CG-CG 3.91Å; Y269-V314 HydrophobicContact CD2-CG1 3.94Å; Y269-V314 HydrophobicContact CE2-CG1 3.94Å
270	L	98.5	Very high	97	Very high	37 Å²	37	49.8 Å²	49.8	19%	0.194	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	139.2	-179.5	-176.8	147.4	0	0	0	110	V243 V245 W263 E264 A267 Y272	V243-L270 HydrophobicContact CB-CB 4.3Å; V243-L270 HydrophobicContact CB-CD1 4.02Å; V243-L270 HydrophobicContact CB-CG 4.15Å; V243-L270 HydrophobicContact CG1-CD1 3.99Å; V243-L270 HydrophobicContact CG1-CG 4.41Å; V243-L270 VanDerWaalsContact O-CA 3.27Å; V243-L270 WeakPolarHBondContact O-CA 3.38Å; V245-L270 HydrophobicContact CG2-CD1 3.99Å; V245-L270 HydrophobicContact CG2-CD2 4.2Å; V245-L270 HydrophobicContact CG2-CG 4.13Å; W263-L270 HydrophobicContact CH2-CD1 4.12Å; W263-L270 HydrophobicContact CZ3-CD1 3.67Å; E264-L270 HydrophobicContact CG-CD1 4.03Å; E264-L270 HydrophobicContact CG-CD2 4.45Å; A267-L270 HydrophobicContact CB-CB 3.93Å; A267-L270 HydrophobicContact CB-CD1 3.85Å; L270-Y272 HydrophobicContact CD2-CD2 3.73Å; L270-Y272 HydrophobicContact CD2-CE1 4.27Å; L270-Y272 HydrophobicContact CD2-CE2 3.36Å; L270-Y272 HydrophobicContact CD2-CG 4.31Å
271	E	98.8	Very high	96.9	Very high	34 Å²	34	46.5 Å²	46.5	16%	0.159	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	139.1	170.1	-66.8	-175.3	161.6	0	0	111.2	F242 V243 V245 Y273 I284 R305	F242-E271 HydrophobicContact CE2-CG 4.17Å; F242-E271 HydrophobicContact CZ-CB 4.04Å; F242-E271 HydrophobicContact CZ-CG 3.8Å; V243-E271 PolarHBondContact O-N 2.92Å; V245-E271 PolarHBondContact N-O 2.91Å; E271-Y273 HydrophobicContact CB-CE1 4.48Å; E271-Y273 HydrophobicContact CB-CE2 3.93Å; E271-Y273 PolarHBondContact OE2-OH 3.04Å; E271-I284 HydrophobicContact CB-CG1 4.22Å; E271-I284 HydrophobicContact CG-CG1 4.36Å; E271-R305 IonicContact OE1-CZ 3.66Å; E271-R305 IonicContact OE1-NE 3.82Å; E271-R305 IonicContact OE1-NH2 2.7Å; E271-R305 PolarHBondContact OE1-NH2 3.39Å; E271-R305 IonicContact OE2-CZ 3.24Å; E271-R305 VanDerWaalsContact OE2-CZ 3.24Å; E271-R305 IonicContact OE2-NE 2.66Å; E271-R305 PolarHBondContact OE2-NE 3.49Å; E271-R305 IonicContact OE2-NH2 3.01Å; E271-R305 PolarHBondContact OE2-NH2 2.98Å
272	Y	98.7	Very high	96.9	Very high	6 Å²	6	47.3 Å²	47.3	2%	0.024	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	120.6	172	-66.3	-82.1	0	0	0	109.6	V245 V256 V259 E264 L270 I281 T283 I284	V245-Y272 HydrophobicContact CB-CD1 3.68Å; V245-Y272 HydrophobicContact CB-CE1 3.99Å; V245-Y272 HydrophobicContact CG1-CD1 3.79Å; V245-Y272 HydrophobicContact CG1-CE1 3.92Å; V245-Y272 HydrophobicContact CG2-CD1 4.19Å; V245-Y272 HydrophobicContact CG2-CE1 4.07Å; V256-Y272 HydrophobicContact CG1-CD1 4.37Å; V256-Y272 HydrophobicContact CG1-CE1 3.93Å; V256-Y272 HydrophobicContact CG2-CD1 4.48Å; V259-Y272 HydrophobicContact CB-CE1 4.42Å; V259-Y272 HydrophobicContact CG1-CE1 4.01Å; V259-Y272 WeakPolarHBondContact CG1-OH 3.12Å; E264-Y272 PolarHBondContact OE2-OH 3.48Å; L270-Y272 HydrophobicContact CD2-CD2 3.73Å; L270-Y272 HydrophobicContact CD2-CE1 4.27Å; L270-Y272 HydrophobicContact CD2-CE2 3.36Å; L270-Y272 HydrophobicContact CD2-CG 4.31Å; Y272-I281 HydrophobicContact CD1-CG2 4.35Å; Y272-I281 HydrophobicContact CD2-CG2 3.8Å; Y272-I281 WeakPolarHBondContact CD2-O 3.36Å; Y272-I281 HydrophobicContact CE2-CG2 4.3Å; Y272-I281 HydrophobicContact CG-CG2 3.83Å; Y272-T283 CarbonylContact O-C 3.55Å; Y272-T283 WeakPolarHBondContact O-CA 3.38Å; Y272-I284 PolarHBondContact O-N 2.87Å
273	Y	98.4	Very high	96.9	Very high	2 Å²	2	47.4 Å²	47.4	1%	0.008	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	111.4	179.8	-66.6	-72.4	0	0	0	110.6	F242 A244 V245 T247 E271 I284 L286 I302 R305	F242-Y273 HydrophobicContact CE1-CE2 4.41Å; A244-Y273 HydrophobicContact CB-CD2 3.86Å; A244-Y273 HydrophobicContact CB-CE2 3.49Å; A244-Y273 VanDerWaalsContact CB-CE2 3.49Å; V245-Y273 PolarHBondContact O-N 2.98Å; T247-Y273 PolarHBondContact N-O 3.37Å; E271-Y273 HydrophobicContact CB-CE1 4.48Å; E271-Y273 HydrophobicContact CB-CE2 3.93Å; E271-Y273 PolarHBondContact OE2-OH 3.04Å; Y273-I284 WeakPolarHBondContact CA-O 3.09Å; Y273-I284 HydrophobicContact CD1-CB 3.99Å; Y273-I284 HydrophobicContact CD1-CG2 4.18Å; Y273-I284 HydrophobicContact CE1-CB 4.04Å; Y273-I284 HydrophobicContact CE1-CG2 3.99Å; Y273-L286 HydrophobicContact CD1-CD1 3.57Å; Y273-L286 HydrophobicContact CD1-CD2 4.37Å; Y273-L286 HydrophobicContact CD1-CG 3.81Å; Y273-L286 HydrophobicContact CE1-CD1 3.63Å; Y273-L286 HydrophobicContact CE1-CD2 4.11Å; Y273-L286 HydrophobicContact CE1-CG 3.99Å; Y273-I302 HydrophobicContact CD1-CG1 4.01Å; Y273-I302 HydrophobicContact CD2-CD1 3.59Å; Y273-I302 HydrophobicContact CD2-CG1 3.59Å; Y273-I302 HydrophobicContact CE1-CG1 4.23Å; Y273-I302 HydrophobicContact CE2-CD1 4.22Å; Y273-I302 HydrophobicContact CE2-CG1 3.82Å; Y273-I302 HydrophobicContact CE2-CG2 4.08Å; Y273-I302 HydrophobicContact CG-CD1 3.78Å; Y273-I302 HydrophobicContact CG-CG1 3.64Å; Y273-R305 WeakPolarHBondContact OH-CD 3.45Å; Y273-R305 PolarHBondContact OH-NE 3.47Å
274	S	97.6	Very high	97	Very high	4 Å²	4	49.7 Å²	49.7	3%	0.028	29%	0.285	C	S	.	.			trans	-127.9	165.6	-175.2	-169.3	0	0	0	0	110.9	C248 E249 H252 V276 I284 N285	C248-S274 WeakPolarHBondContact CA-OG 3.21Å; E249-S274 PolarHBondContact N-OG 3.15Å; H252-S274 PolarHBondContact NE2-OG 3.45Å; S274-V276 VanDerWaalsContact C-N 3.25Å; S274-V276 WeakPolarHBondContact CB-O 3.39Å; S274-I284 PolarHBondContact N-O 2.87Å; S274-N285 WeakPolarHBondContact O-CA 3.39Å
275	D	95.1	Very high	97	Very high	40 Å²	40	50.3 Å²	50.3	21%	0.214	29%	0.29	C	S	.	.	S	Bend	trans	-76.6	-13.3	172.2	56.3	-36.5	0	0	0	113.1	C248 E249 N285 N290	C248-D275 WeakPolarHBondContact CA-OD1 3.37Å; C248-D275 VanDerWaalsContact CB-OD1 3.25Å; C248-D275 WeakPolarHBondContact CB-OD1 3.39Å; E249-D275 PolarHBondContact N-OD1 2.89Å; D275-N285 PolarHBondContact O-ND2 3.23Å; D275-N290 HydrophobicContact CB-CB 3.81Å; D275-N290 VanDerWaalsContact OD2-CB 3.28Å; D275-N290 WeakPolarHBondContact OD2-CB 3.4Å
276	V	95.9	Very high	97	Very high	40 Å²	40	46.6 Å²	46.6	24%	0.242	28%	0.276	C	S	.	.	S	Bend	trans	-129.4	151.8	174.8	-56.4	0	0	0	0	111.4	E249 S274 T283	E249-V276 HydrophobicContact CB-CG1 4.28Å; E249-V276 HydrophobicContact CB-CG2 3.7Å; E249-V276 HydrophobicContact CG-CG2 3.9Å; S274-V276 VanDerWaalsContact C-N 3.25Å; S274-V276 WeakPolarHBondContact CB-O 3.39Å; V276-T283 PolarHBondContact O-OG1 2.85Å
277	T	96.9	Very high	96.9	Very high	109 Å²	109	47.8 Å²	47.8	67%	0.669	30%	0.3	S	S	*	.			trans	-85.5	122.1	170.3	-58.3	0	0	0	0	109.4	T283	T277-T283 WeakPolarHBondContact CA-OG1 3.37Å
278	D	96.4	Very high	96.8	Very high	41 Å²	41	47.9 Å²	47.9	22%	0.219	30%	0.298	C	S	.	.			trans	-127.6	109.3	179.6	-177.2	-18.6	0	0	0	108.9	H252 S280 I281 P282 T283	H252-D278 IonicContact CE1-OD2 3.69Å; H252-D278 IonicContact CG-OD2 3.87Å; H252-D278 IonicContact ND1-OD2 2.87Å; H252-D278 PolarHBondContact ND1-OD2 3.24Å; D278-S280 PolarHBondContact O-N 2.86Å; D278-S280 VanDerWaalsContact OD1-CB 3.32Å; D278-S280 WeakPolarHBondContact OD1-CB 3.13Å; D278-S280 PolarHBondContact OD1-N 2.88Å; D278-S280 PolarHBondContact OD1-OG 2.73Å; D278-S280 PolarHBondContact OD2-OG 2.88Å; D278-I281 PolarHBondContact O-N 3.34Å; D278-P282 CarbonylContact O-C 3.52Å; D278-P282 WeakPolarHBondContact O-CA 3.35Å; D278-P282 VanDerWaalsContact O-N 3.13Å; D278-T283 HydrophobicContact CB-CG2 4.3Å; D278-T283 PolarHBondContact N-OG1 2.86Å; D278-T283 PolarHBondContact O-N 3.1Å
279	A	95.9	Very high	96.4	Very high	95 Å²	95	48.8 Å²	48.8	79%	0.785	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-16.3	-177.6	0	0	0	0	0	113.7	P282	A279-P282 WeakPolarHBondContact O-CD 3.44Å
280	S	95.4	Very high	96	Very high	89 Å²	89	48 Å²	48	62%	0.622	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-23.6	175.9	75.8	0	0	0	0	112.6	D278	D278-S280 PolarHBondContact O-N 2.86Å; D278-S280 VanDerWaalsContact OD1-CB 3.32Å; D278-S280 WeakPolarHBondContact OD1-CB 3.13Å; D278-S280 PolarHBondContact OD1-N 2.88Å; D278-S280 PolarHBondContact OD1-OG 2.73Å; D278-S280 PolarHBondContact OD2-OG 2.88Å
281	I	96.4	Very high	95.7	Very high	11 Å²	11	47.4 Å²	47.4	6%	0.056	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.3	0.7	177.9	-67.8	166	0	0	0	112.9	H252 V256 Y272 D278 T283	H252-I281 HydrophobicContact CB-CD1 3.42Å; H252-I281 VanDerWaalsContact CB-CD1 3.42Å; V256-I281 HydrophobicContact CB-CD1 4.2Å; V256-I281 HydrophobicContact CG1-CD1 3.96Å; V256-I281 HydrophobicContact CG1-CG1 4.02Å; V256-I281 HydrophobicContact CG1-CG2 3.68Å; V256-I281 HydrophobicContact CG2-CD1 4.38Å; Y272-I281 HydrophobicContact CD1-CG2 4.35Å; Y272-I281 HydrophobicContact CD2-CG2 3.8Å; Y272-I281 WeakPolarHBondContact CD2-O 3.36Å; Y272-I281 HydrophobicContact CE2-CG2 4.3Å; Y272-I281 HydrophobicContact CG-CG2 3.83Å; D278-I281 PolarHBondContact O-N 3.34Å; I281-T283 HydrophobicContact CB-CG2 3.93Å; I281-T283 HydrophobicContact CG2-CG2 3.51Å
282	P	95.6	Very high	95	Very high	90 Å²	90	55.2 Å²	55.2	58%	0.584	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	17.3	71.4	-143.6	11.6	-32.6	0	0	0	116.4	D278 A279	D278-P282 CarbonylContact O-C 3.52Å; D278-P282 WeakPolarHBondContact O-CA 3.35Å; D278-P282 VanDerWaalsContact O-N 3.13Å; A279-P282 WeakPolarHBondContact O-CD 3.44Å
283	T	97.9	Very high	94.4	Very high	5 Å²	5	65.5 Å²	65.5	3%	0.031	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	147.5	172.8	61.8	0	0	0	0	112.8	Y272 V276 T277 D278 I281	Y272-T283 CarbonylContact O-C 3.55Å; Y272-T283 WeakPolarHBondContact O-CA 3.38Å; V276-T283 PolarHBondContact O-OG1 2.85Å; T277-T283 WeakPolarHBondContact CA-OG1 3.37Å; D278-T283 HydrophobicContact CB-CG2 4.3Å; D278-T283 PolarHBondContact N-OG1 2.86Å; D278-T283 PolarHBondContact O-N 3.1Å; I281-T283 HydrophobicContact CB-CG2 3.93Å; I281-T283 HydrophobicContact CG2-CG2 3.51Å
284	I	98.1	Very high	94	Very high	47 Å²	47	65.6 Å²	65.6	24%	0.241	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	117.8	174.5	-55	-58.8	0	0	0	108.9	E271 Y272 Y273 S274 L286	E271-I284 HydrophobicContact CB-CG1 4.22Å; E271-I284 HydrophobicContact CG-CG1 4.36Å; Y272-I284 PolarHBondContact O-N 2.87Å; Y273-I284 WeakPolarHBondContact CA-O 3.09Å; Y273-I284 HydrophobicContact CD1-CB 3.99Å; Y273-I284 HydrophobicContact CD1-CG2 4.18Å; Y273-I284 HydrophobicContact CE1-CB 4.04Å; Y273-I284 HydrophobicContact CE1-CG2 3.99Å; S274-I284 PolarHBondContact N-O 2.87Å; I284-L286 HydrophobicContact CG2-CD2 3.64Å; I284-L286 HydrophobicContact CG2-CG 4.27Å
285	N	97.2	Very high	94	Very high	68 Å²	68	67.7 Å²	67.7	36%	0.364	39%	0.39	S	S	.	.	P	Polyproline II helix	trans	-91	116.7	169.3	-174.4	-10.1	0	0	0	110.1	S274 D275 G287	S274-N285 WeakPolarHBondContact O-CA 3.39Å; D275-N285 PolarHBondContact O-ND2 3.23Å; N285-G287 VanDerWaalsContact C-N 3.33Å; N285-G287 WeakPolarHBondContact OD1-CA 3.44Å; N285-G287 PolarHBondContact OD1-N 2.97Å
286	L	96.4	Very high	94.1	Very high	55 Å²	55	65.8 Å²	65.8	29%	0.288	38%	0.38	S	S	.	.			trans	-91.4	11.1	178.3	-60.2	-178.8	0	0	0	113.9	Y273 I284 V288 A301 I302	Y273-L286 HydrophobicContact CD1-CD1 3.57Å; Y273-L286 HydrophobicContact CD1-CD2 4.37Å; Y273-L286 HydrophobicContact CD1-CG 3.81Å; Y273-L286 HydrophobicContact CE1-CD1 3.63Å; Y273-L286 HydrophobicContact CE1-CD2 4.11Å; Y273-L286 HydrophobicContact CE1-CG 3.99Å; I284-L286 HydrophobicContact CG2-CD2 3.64Å; I284-L286 HydrophobicContact CG2-CG 4.27Å; L286-V288 VanDerWaalsContact C-N 3.32Å; L286-A301 HydrophobicContact CB-CB 3.94Å; L286-A301 HydrophobicContact CD1-CB 3.6Å; L286-A301 HydrophobicContact CG-CB 4.43Å; L286-I302 HydrophobicContact CD1-CG1 4.07Å
287	G	94.3	Very high	94.1	Very high	66 Å²	66	64.1 Å²	64.1	68%	0.68	37%	0.371	S	S	*	.	S	Bend	trans	76.5	17.3	-178	0	0	0	0	0	113.9	N285	N285-G287 VanDerWaalsContact C-N 3.33Å; N285-G287 WeakPolarHBondContact OD1-CA 3.44Å; N285-G287 PolarHBondContact OD1-N 2.97Å
288	V	93	Very high	94.2	Very high	25 Å²	25	59.4 Å²	59.4	15%	0.152	34%	0.341	C	S	.	.			trans	-108.3	122.5	176.2	-174.5	0	0	0	0	108.8	L286 K298 A301	L286-V288 VanDerWaalsContact C-N 3.32Å; V288-K298 HydrophobicContact CG1-CB 4.38Å; V288-A301 HydrophobicContact CG2-CB 4Å
289	P	89.7	Confident	94.3	Very high	84 Å²	84	57.5 Å²	57.5	55%	0.545	33%	0.331	S	S	.	.			trans	-67.1	159.1	-180	28	-33.5	0	0	0	111.8
290	N	90.5	Very high	94.4	Very high	59 Å²	59	53.1 Å²	53.1	32%	0.316	29%	0.294	S	S	.	.			trans	-71.4	149	170.6	-171.2	58.8	0	0	0	111.5	C248 D275	C248-N290 HydrophobicContact CB-CB 4.11Å; C248-N290 WeakPolarHBondContact CB-OD1 3.22Å; D275-N290 HydrophobicContact CB-CB 3.81Å; D275-N290 VanDerWaalsContact OD2-CB 3.28Å; D275-N290 WeakPolarHBondContact OD2-CB 3.4Å
291	T	91.3	Very high	94.5	Very high	26 Å²	26	49.5 Å²	49.5	16%	0.16	27%	0.27	C	S	.	.			trans	-133.4	157.7	-176.2	48.3	0	0	0	0	109.1	G294 H295 D389	T291-G294 WeakPolarHBondContact CB-O 3.38Å; T291-G294 PolarHBondContact OG1-O 2.85Å; T291-H295 PolarHBondContact O-CE1 2.95Å; T291-H295 PolarHBondContact OG1-ND1 3.35Å; T291-D389 HydrophobicContact CG2-CB 3.72Å
292	E	84.7	Confident	94.6	Very high	198 Å²	198	49 Å²	49	93%	0.925	27%	0.267	S	S	*	.	S	Bend	trans	-99.1	-23	-178.1	-65.3	-171.6	161.2	0	0	114.1
293	R	84.9	Confident	94.8	Very high	221 Å²	221	44.7 Å²	44.7	83%	0.834	24%	0.239	S	C	*	.	S	Bend	trans	-97.8	-37.4	-170.6	-67.7	-178.6	177.7	-176.7	-1.1	114.4
294	G	91.4	Very high	94.8	Very high	5 Å²	5	51.6 Å²	51.6	5%	0.052	27%	0.265	C	S	.	.			trans	-170.7	165.5	-175.7	0	0	0	0	0	110	T291 D389 A390	T291-G294 WeakPolarHBondContact CB-O 3.38Å; T291-G294 PolarHBondContact OG1-O 2.85Å; G294-D389 CarbonylContact C-O 3.55Å; G294-D389 VanDerWaalsContact CA-O 3.24Å; G294-D389 WeakPolarHBondContact CA-O 3.4Å; G294-D389 PolarHBondContact N-O 3.08Å; G294-D389 VanDerWaalsContact N-O 3.1Å; G294-D389 CarbonylContact O-C 3.58Å; G294-D389 WeakPolarHBondContact O-CA 3.08Å; G294-A390 CarbonylContact C-O 3.28Å; G294-A390 VanDerWaalsContact C-O 3.28Å; G294-A390 WeakPolarHBondContact CA-O 3.39Å
295	H	96	Very high	94.8	Very high	47 Å²	47	51.7 Å²	51.7	22%	0.218	26%	0.262	C	S	.	.			trans	-127.1	29.6	-167.1	-62.4	-58.2	0	0	0	113.5	T291 G297 K298 T299 A390	T291-H295 PolarHBondContact O-CE1 2.95Å; T291-H295 PolarHBondContact OG1-ND1 3.35Å; H295-G297 VanDerWaalsContact C-N 3.34Å; H295-G297 PolarHBondContact O-N 2.69Å; H295-K298 HydrophobicContact CB-CB 4.45Å; H295-K298 PolarHBondContact O-N 2.99Å; H295-K298 VanDerWaalsContact O-N 3.12Å; H295-T299 PolarHBondContact O-N 2.84Å; H295-T299 PolarHBondContact O-OG1 2.88Å; H295-A390 PolarHBondContact N-O 2.73Å; H295-A390 VanDerWaalsContact N-O 3.15Å
296	C	97.4	Very high	94.9	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-53.9	-47.4	-174.5	-169.7	0	0	0	0	113	K298 T299 F300 C385 D388 A390 D392	C296-K298 VanDerWaalsContact C-N 3.31Å; C296-K298 PolarHBondContact O-N 3.16Å; C296-T299 PolarHBondContact O-N 3Å; C296-F300 WeakPolarHBondContact O-CD2 3.37Å; C296-F300 PolarHBondContact O-N 2.92Å; C296-C385 HydrophobicContact CB-CB 3.83Å; C296-C385 WeakPolarHBondContact CB-SG 3.38Å; C296-C385 PolarHBondContact O-SG 3.48Å; C296-C385 VanDerWaalsContact SG-CA 3.54Å; C296-C385 WeakPolarHBondContact SG-CB 3.46Å; C296-C385 CovalentContact SG-SG 2.03Å; C296-C385 PolarHBondContact SG-SG 3.07Å; C296-D388 PolarHBondContact N-O 3.44Å; C296-D388 VanDerWaalsContact N-O 3.12Å; C296-A390 HydrophobicContact CB-CB 3.85Å; C296-A390 VanDerWaalsContact CB-O 3.31Å; C296-A390 WeakPolarHBondContact CB-O 3.49Å; C296-A390 PolarHBondContact N-O 2.73Å; C296-A390 VanDerWaalsContact N-O 3.09Å; C296-D392 HydrophobicContact CB-CB 4.32Å
297	G	97.4	Very high	95	Very high	5 Å²	5	48.5 Å²	48.5	5%	0.052	25%	0.245	C	C	.	.	H	α-helix	trans	-58.5	-43.6	-179.9	0	0	0	0	0	112.2	H295 F300 A301 D388	H295-G297 VanDerWaalsContact C-N 3.34Å; H295-G297 PolarHBondContact O-N 2.69Å; G297-F300 PolarHBondContact O-N 3.09Å; G297-A301 WeakPolarHBondContact O-CB 3.23Å; G297-A301 PolarHBondContact O-N 3.06Å; G297-D388 WeakPolarHBondContact CA-OD1 3.24Å; G297-D388 PolarHBondContact N-O 3.23Å
298	K	97.8	Very high	95.2	Very high	11 Å²	11	47.4 Å²	47.4	5%	0.048	23%	0.227	C	C	.	.	H	α-helix	trans	-65.2	-45	178.3	-172.1	180	-68.5	174.4	0	110.4	K246 T247 V288 H295 C296 A301 I302	K246-K298 HydrophobicContact CG-CD 4.37Å; T247-K298 PolarHBondContact O-NZ 2.95Å; V288-K298 HydrophobicContact CG1-CB 4.38Å; H295-K298 HydrophobicContact CB-CB 4.45Å; H295-K298 PolarHBondContact O-N 2.99Å; H295-K298 VanDerWaalsContact O-N 3.12Å; C296-K298 VanDerWaalsContact C-N 3.31Å; C296-K298 PolarHBondContact O-N 3.16Å; K298-A301 WeakPolarHBondContact O-CB 3.36Å; K298-A301 PolarHBondContact O-N 2.99Å; K298-I302 HydrophobicContact CG-CD1 4.32Å; K298-I302 VanDerWaalsContact O-CG1 3.31Å; K298-I302 WeakPolarHBondContact O-CG1 3.43Å; K298-I302 PolarHBondContact O-N 2.98Å
299	T	98.3	Very high	95.4	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-62.8	-45.9	178.3	-61.1	0	0	0	0	111.6	H295 C296 A301 I302 L303 I319 D392 L396	H295-T299 PolarHBondContact O-N 2.84Å; H295-T299 PolarHBondContact O-OG1 2.88Å; C296-T299 PolarHBondContact O-N 3Å; T299-A301 VanDerWaalsContact C-N 3.32Å; T299-A301 PolarHBondContact O-N 3.26Å; T299-I302 WeakPolarHBondContact O-CB 3.37Å; T299-I302 PolarHBondContact O-N 2.84Å; T299-I302 VanDerWaalsContact O-N 3.14Å; T299-L303 WeakPolarHBondContact O-CG 3.32Å; T299-L303 PolarHBondContact O-N 2.94Å; T299-I319 HydrophobicContact CG2-CD1 4.11Å; T299-D392 HydrophobicContact CG2-CB 4.27Å; T299-D392 PolarHBondContact OG1-OD2 3.35Å; T299-L396 HydrophobicContact CG2-CD1 3.74Å
300	F	98.5	Very high	95.7	Very high	3 Å²	3	52.4 Å²	52.4	1%	0.013	25%	0.252	C	S	.	.	H	α-helix	trans	-64.7	-33.8	175.6	-89.5	-103.2	0	0	0	113.2	C296 G297 L303 R304 L379 C383 C385 V395 L396	C296-F300 WeakPolarHBondContact O-CD2 3.37Å; C296-F300 PolarHBondContact O-N 2.92Å; G297-F300 PolarHBondContact O-N 3.09Å; F300-L303 PolarHBondContact O-N 3.49Å; F300-R304 WeakPolarHBondContact O-CG 3.42Å; F300-R304 PolarHBondContact O-N 2.97Å; F300-R304 VanDerWaalsContact O-N 3.07Å; F300-L379 HydrophobicContact CD1-CD2 3.98Å; F300-L379 HydrophobicContact CE1-CD2 4.32Å; F300-C383 VanDerWaalsContact CZ-SG 3.52Å; F300-C385 WeakPolarHBondContact CD2-SG 3.24Å; F300-V395 HydrophobicContact CE2-CG1 4.11Å; F300-V395 HydrophobicContact CZ-CG1 4.47Å; F300-L396 HydrophobicContact CE2-CD1 4.14Å
301	A	98.4	Very high	96.1	Very high	13 Å²	13	50 Å²	50	11%	0.107	24%	0.24	C	C	.	.	H	α-helix	trans	-64.3	-41.1	172.6	0	0	0	0	0	111.6	L286 V288 G297 K298 T299 R304 R305	L286-A301 HydrophobicContact CB-CB 3.94Å; L286-A301 HydrophobicContact CD1-CB 3.6Å; L286-A301 HydrophobicContact CG-CB 4.43Å; V288-A301 HydrophobicContact CG2-CB 4Å; G297-A301 WeakPolarHBondContact O-CB 3.23Å; G297-A301 PolarHBondContact O-N 3.06Å; K298-A301 WeakPolarHBondContact O-CB 3.36Å; K298-A301 PolarHBondContact O-N 2.99Å; T299-A301 VanDerWaalsContact C-N 3.32Å; T299-A301 PolarHBondContact O-N 3.26Å; A301-R304 PolarHBondContact O-N 3.3Å; A301-R305 WeakPolarHBondContact O-CB 3.46Å; A301-R305 PolarHBondContact O-N 3.27Å
302	I	98.7	Very high	96.3	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-60.3	-45.4	173.1	-68.4	166.5	0	0	0	110.9	A244 K246 Y273 L286 K298 T299 R304 R305 F306 I319	A244-I302 HydrophobicContact CB-CD1 4.48Å; A244-I302 HydrophobicContact CB-CG2 3.53Å; K246-I302 HydrophobicContact CD-CD1 4.39Å; K246-I302 HydrophobicContact CG-CD1 3.73Å; Y273-I302 HydrophobicContact CD1-CG1 4.01Å; Y273-I302 HydrophobicContact CD2-CD1 3.59Å; Y273-I302 HydrophobicContact CD2-CG1 3.59Å; Y273-I302 HydrophobicContact CE1-CG1 4.23Å; Y273-I302 HydrophobicContact CE2-CD1 4.22Å; Y273-I302 HydrophobicContact CE2-CG1 3.82Å; Y273-I302 HydrophobicContact CE2-CG2 4.08Å; Y273-I302 HydrophobicContact CG-CD1 3.78Å; Y273-I302 HydrophobicContact CG-CG1 3.64Å; L286-I302 HydrophobicContact CD1-CG1 4.07Å; K298-I302 HydrophobicContact CG-CD1 4.32Å; K298-I302 VanDerWaalsContact O-CG1 3.31Å; K298-I302 WeakPolarHBondContact O-CG1 3.43Å; K298-I302 PolarHBondContact O-N 2.98Å; T299-I302 WeakPolarHBondContact O-CB 3.37Å; T299-I302 PolarHBondContact O-N 2.84Å; T299-I302 VanDerWaalsContact O-N 3.14Å; I302-R304 PolarHBondContact O-N 3.19Å; I302-R305 PolarHBondContact O-N 3.32Å; I302-F306 WeakPolarHBondContact O-CB 3.4Å; I302-F306 PolarHBondContact O-N 2.76Å; I302-I319 HydrophobicContact CG2-CD1 4.38Å
303	L	98.8	Very high	97	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-58.8	-45.3	177.8	-64.5	-176.9	0	0	0	112	T299 F300 R305 F306 L307 L317 I319 L370 V375 L378 L379 L396	T299-L303 WeakPolarHBondContact O-CG 3.32Å; T299-L303 PolarHBondContact O-N 2.94Å; F300-L303 PolarHBondContact O-N 3.49Å; L303-R305 VanDerWaalsContact C-N 3.35Å; L303-F306 PolarHBondContact O-N 2.95Å; L303-L307 PolarHBondContact O-N 3.27Å; L303-L317 HydrophobicContact CD2-CD2 3.63Å; L303-I319 HydrophobicContact CD2-CD1 4Å; L303-L370 HydrophobicContact CD2-CD1 3.76Å; L303-V375 HydrophobicContact CB-CG1 3.89Å; L303-V375 HydrophobicContact CD2-CG1 3.94Å; L303-V375 HydrophobicContact CD2-CG2 4.03Å; L303-V375 HydrophobicContact CG-CG1 4.39Å; L303-L378 HydrophobicContact CD1-CD2 3.67Å; L303-L379 HydrophobicContact CB-CD1 3.99Å; L303-L379 HydrophobicContact CB-CD2 4.22Å; L303-L379 HydrophobicContact CB-CG 4.31Å; L303-L396 HydrophobicContact CD1-CD2 4.41Å
304	R	98.5	Very high	97.6	Very high	150 Å²	150	38.3 Å²	38.3	57%	0.566	20%	0.195	S	C	*	.	H	α-helix	trans	-64.2	-41.6	177.3	-69.3	179.3	-165.5	125.9	1.7	111.3	F300 A301 I302 F306 L307 S308 L379	F300-R304 WeakPolarHBondContact O-CG 3.42Å; F300-R304 PolarHBondContact O-N 2.97Å; F300-R304 VanDerWaalsContact O-N 3.07Å; A301-R304 PolarHBondContact O-N 3.3Å; I302-R304 PolarHBondContact O-N 3.19Å; R304-F306 VanDerWaalsContact C-N 3.33Å; R304-F306 PolarHBondContact O-N 3.11Å; R304-L307 PolarHBondContact O-N 3.46Å; R304-S308 PolarHBondContact O-N 3.35Å; R304-L379 HydrophobicContact CG-CD1 4.01Å; R304-L379 HydrophobicContact CG-CD2 4.13Å
305	R	98.4	Very high	97.9	Very high	50 Å²	50	40.9 Å²	40.9	19%	0.189	21%	0.208	C	C	.	.	H	α-helix	trans	-62.1	-41.7	176.1	-179.8	162.4	173.8	92.8	5.1	111.9	E271 Y273 A301 I302 L303 L307 S308 V311	E271-R305 IonicContact OE1-CZ 3.66Å; E271-R305 IonicContact OE1-NE 3.82Å; E271-R305 IonicContact OE1-NH2 2.7Å; E271-R305 PolarHBondContact OE1-NH2 3.39Å; E271-R305 IonicContact OE2-CZ 3.24Å; E271-R305 VanDerWaalsContact OE2-CZ 3.24Å; E271-R305 IonicContact OE2-NE 2.66Å; E271-R305 PolarHBondContact OE2-NE 3.49Å; E271-R305 IonicContact OE2-NH2 3.01Å; E271-R305 PolarHBondContact OE2-NH2 2.98Å; Y273-R305 WeakPolarHBondContact OH-CD 3.45Å; Y273-R305 PolarHBondContact OH-NE 3.47Å; A301-R305 WeakPolarHBondContact O-CB 3.46Å; A301-R305 PolarHBondContact O-N 3.27Å; I302-R305 PolarHBondContact O-N 3.32Å; L303-R305 VanDerWaalsContact C-N 3.35Å; R305-L307 PolarHBondContact O-N 2.96Å; R305-S308 WeakPolarHBondContact O-CB 3.2Å; R305-S308 PolarHBondContact O-N 3.46Å; R305-S308 PolarHBondContact O-OG 2.88Å; R305-V311 HydrophobicContact CG-CG1 4.01Å; R305-V311 WeakPolarHBondContact O-CG2 3.44Å
306	F	98.8	Very high	98.1	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-59.5	-33.4	177.5	179.2	-113.8	0	0	0	113.3	F242 I302 L303 R304 V311 V314 L317 R372 V375	F242-F306 HydrophobicContact CB-CD2 4.05Å; F242-F306 HydrophobicContact CB-CE2 3.74Å; F242-F306 HydrophobicContact CD1-CD2 4.01Å; F242-F306 HydrophobicContact CG-CD2 4.12Å; F242-F306 HydrophobicContact CG-CE2 4.31Å; I302-F306 WeakPolarHBondContact O-CB 3.4Å; I302-F306 PolarHBondContact O-N 2.76Å; L303-F306 PolarHBondContact O-N 2.95Å; R304-F306 VanDerWaalsContact C-N 3.33Å; R304-F306 PolarHBondContact O-N 3.11Å; F306-V311 HydrophobicContact CD2-CG2 4.47Å; F306-V314 HydrophobicContact CE2-CG2 3.76Å; F306-V314 HydrophobicContact CZ-CG2 4.25Å; F306-L317 HydrophobicContact CB-CD1 4.38Å; F306-L317 HydrophobicContact CB-CD2 4.04Å; F306-L317 HydrophobicContact CD1-CB 3.89Å; F306-L317 HydrophobicContact CD1-CD2 3.95Å; F306-L317 HydrophobicContact CD1-CG 4.41Å; F306-L317 HydrophobicContact CD2-CB 4.05Å; F306-L317 HydrophobicContact CD2-CD1 3.93Å; F306-L317 HydrophobicContact CD2-CG 4.4Å; F306-L317 HydrophobicContact CE1-CB 3.67Å; F306-L317 HydrophobicContact CE2-CB 3.86Å; F306-L317 HydrophobicContact CE2-CD1 4.4Å; F306-L317 HydrophobicContact CG-CB 4.06Å; F306-L317 HydrophobicContact CG-CD1 4.11Å; F306-L317 HydrophobicContact CG-CD2 3.93Å; F306-L317 HydrophobicContact CG-CG 4.26Å; F306-L317 HydrophobicContact CZ-CB 3.66Å; F306-R372 HydrophobicContact CE1-CB 3.94Å; F306-R372 HydrophobicContact CE1-CG 4.15Å; F306-R372 HydrophobicContact CZ-CB 4.28Å; F306-R372 PolarHBondContact O-NH1 2.94Å; F306-R372 PolarHBondContact O-NH2 3.42Å; F306-V375 HydrophobicContact CD1-CB 4.26Å; F306-V375 HydrophobicContact CD1-CG1 4.21Å; F306-V375 HydrophobicContact CD1-CG2 4.04Å; F306-V375 HydrophobicContact CE1-CG2 4.22Å
307	L	98.4	Very high	98.1	Very high	56 Å²	56	38.8 Å²	38.8	29%	0.293	20%	0.198	S	C	.	.	H	α-helix	trans	-85.5	-9.3	175.1	-62.4	-168.9	0	0	0	114.6	L303 R304 R305 R372 V375 L379	L303-L307 PolarHBondContact O-N 3.27Å; R304-L307 PolarHBondContact O-N 3.46Å; R305-L307 PolarHBondContact O-N 2.96Å; L307-R372 HydrophobicContact CD2-CG 3.88Å; L307-V375 HydrophobicContact CD1-CG1 4.09Å; L307-V375 HydrophobicContact CD2-CB 4.3Å; L307-V375 HydrophobicContact CD2-CG1 4.08Å; L307-V375 HydrophobicContact CG-CG1 3.87Å; L307-L379 HydrophobicContact CD1-CD1 3.69Å; L307-L379 HydrophobicContact CG-CD1 4.25Å
308	S	98.1	Very high	98.2	Very high	42 Å²	42	38.6 Å²	38.6	29%	0.294	20%	0.195	S	C	.	.	S	Bend	trans	-80.8	166.7	-179.7	78.3	0	0	0	0	112.5	R304 R305 A310	R304-S308 PolarHBondContact O-N 3.35Å; R305-S308 WeakPolarHBondContact O-CB 3.2Å; R305-S308 PolarHBondContact O-N 3.46Å; R305-S308 PolarHBondContact O-OG 2.88Å; S308-A310 PolarHBondContact O-N 3.47Å; S308-A310 WeakPolarHBondContact OG-CB 3.36Å; S308-A310 PolarHBondContact OG-N 3.26Å
309	E	97.3	Very high	98.3	Very high	151 Å²	151	38 Å²	38	71%	0.706	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-1.6	172.7	-57.9	-63.2	148.8	0	0	113.1	V311 K313	E309-V311 VanDerWaalsContact C-N 3.27Å; E309-V311 PolarHBondContact O-N 3.11Å; E309-K313 VanDerWaalsContact CD-NZ 3.32Å; E309-K313 WeakPolarHBondContact OE1-CE 3.49Å; E309-K313 IonicContact OE1-NZ 3.08Å; E309-K313 PolarHBondContact OE1-NZ 3.22Å; E309-K313 WeakPolarHBondContact OE2-CE 3.48Å; E309-K313 IonicContact OE2-NZ 2.61Å; E309-K313 PolarHBondContact OE2-NZ 2.96Å; E309-K313 VanDerWaalsContact OE2-NZ 3.08Å
310	A	96.9	Very high	98.3	Very high	63 Å²	63	38 Å²	38	52%	0.521	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-17.6	179.5	0	0	0	0	0	113.3	S308	S308-A310 PolarHBondContact O-N 3.47Å; S308-A310 WeakPolarHBondContact OG-CB 3.36Å; S308-A310 PolarHBondContact OG-N 3.26Å
311	V	97.4	Very high	98.2	Very high	10 Å²	10	39.1 Å²	39.1	6%	0.061	20%	0.199	C	C	.	.	S	Bend	trans	-129.3	158.3	178.4	-53.9	0	0	0	0	110.8	F242 R305 F306 E309	F242-V311 HydrophobicContact CD2-CB 4.09Å; F242-V311 HydrophobicContact CD2-CG1 4.48Å; F242-V311 HydrophobicContact CD2-CG2 4.44Å; F242-V311 HydrophobicContact CE2-CB 3.65Å; F242-V311 HydrophobicContact CE2-CG1 3.58Å; F242-V311 HydrophobicContact CE2-CG2 4.29Å; F242-V311 HydrophobicContact CZ-CB 4.19Å; F242-V311 HydrophobicContact CZ-CG1 3.71Å; R305-V311 HydrophobicContact CG-CG1 4.01Å; R305-V311 WeakPolarHBondContact O-CG2 3.44Å; F306-V311 HydrophobicContact CD2-CG2 4.47Å; E309-V311 VanDerWaalsContact C-N 3.27Å; E309-V311 PolarHBondContact O-N 3.11Å
312	P	97.3	Very high	98.2	Very high	48 Å²	48	38.8 Å²	38.8	31%	0.312	20%	0.195	S	C	.	.			trans	-59.8	143	-179.7	-27	37.7	0	0	0	113.6	Y269 V314 R372	Y269-P312 HydrophobicContact CD1-CG 3.64Å; Y269-P312 HydrophobicContact CD2-CB 4.19Å; Y269-P312 HydrophobicContact CD2-CG 4.16Å; Y269-P312 HydrophobicContact CE1-CB 4.32Å; Y269-P312 HydrophobicContact CE1-CG 3.61Å; Y269-P312 HydrophobicContact CE2-CB 3.97Å; Y269-P312 HydrophobicContact CE2-CG 4.11Å; Y269-P312 HydrophobicContact CG-CB 4.43Å; Y269-P312 HydrophobicContact CG-CG 3.91Å; P312-V314 HydrophobicContact CB-CG1 3.95Å; P312-V314 PolarHBondContact O-N 3.31Å; P312-R372 PolarHBondContact O-NH2 3.44Å
313	K	97.6	Very high	98.1	Very high	145 Å²	145	39.5 Å²	39.5	63%	0.63	20%	0.199	S	C	*	.			trans	-75.5	89.7	174.3	-68.5	-179.6	-179.1	172	0	110	E309	E309-K313 VanDerWaalsContact CD-NZ 3.32Å; E309-K313 WeakPolarHBondContact OE1-CE 3.49Å; E309-K313 IonicContact OE1-NZ 3.08Å; E309-K313 PolarHBondContact OE1-NZ 3.22Å; E309-K313 WeakPolarHBondContact OE2-CE 3.48Å; E309-K313 IonicContact OE2-NZ 2.61Å; E309-K313 PolarHBondContact OE2-NZ 2.96Å; E309-K313 VanDerWaalsContact OE2-NZ 3.08Å
314	V	98.4	Very high	98	Very high	6 Å²	6	39.5 Å²	39.5	4%	0.036	20%	0.199	C	C	.	.			trans	-119.4	159.5	-179.6	-56.2	0	0	0	0	112.5	N239 F242 Y269 F306 P312 R372	N239-V314 WeakPolarHBondContact O-CG1 3.4Å; F242-V314 HydrophobicContact CB-CG2 3.6Å; Y269-V314 HydrophobicContact CD2-CG1 3.94Å; Y269-V314 HydrophobicContact CE2-CG1 3.94Å; F306-V314 HydrophobicContact CE2-CG2 3.76Å; F306-V314 HydrophobicContact CZ-CG2 4.25Å; P312-V314 HydrophobicContact CB-CG1 3.95Å; P312-V314 PolarHBondContact O-N 3.31Å; V314-R372 PolarHBondContact O-NE 3.18Å; V314-R372 PolarHBondContact O-NH2 3.01Å; V314-R372 VanDerWaalsContact O-NH2 3.16Å
315	D	98.6	Very high	98	Very high	59 Å²	59	32.6 Å²	32.6	32%	0.316	17%	0.173	S	C	.	.	S	Bend	trans	-71.4	-35.7	-171.9	-65.7	-33.7	0	0	0	113.9	N240 P340 S371 R372	N240-D315 HydrophobicContact CB-CB 4.46Å; N240-D315 PolarHBondContact ND2-OD2 2.97Å; N240-D315 PolarHBondContact O-N 3.07Å; D315-P340 HydrophobicContact CB-CB 3.7Å; D315-P340 HydrophobicContact CB-CG 4.41Å; D315-S371 CarbonylContact O-C 3.47Å; D315-R372 PolarHBondContact O-N 3.47Å
316	W	98.9	Very high	98	Very high	3 Å²	3	30.2 Å²	30.2	1%	0.011	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	132.2	-168.4	-58.5	102.4	0	0	0	112.3	N240 I241 F242 L335 P340 V344 V369	N240-W316 PolarHBondContact O-N 2.64Å; N240-W316 VanDerWaalsContact O-N 3.1Å; I241-W316 HydrophobicContact CG1-CB 4.24Å; F242-W316 PolarHBondContact N-O 2.97Å; W316-L335 HydrophobicContact CB-CD1 4.21Å; W316-L335 HydrophobicContact CD2-CD1 4.03Å; W316-L335 HydrophobicContact CD2-CD2 4.22Å; W316-L335 HydrophobicContact CE3-CD2 4.08Å; W316-L335 HydrophobicContact CG-CD1 3.86Å; W316-L335 HydrophobicContact CH2-CD2 4.41Å; W316-L335 HydrophobicContact CZ2-CB 4.48Å; W316-L335 HydrophobicContact CZ3-CD2 4.17Å; W316-P340 HydrophobicContact CH2-CB 4.35Å; W316-P340 HydrophobicContact CZ2-CB 3.7Å; W316-P340 HydrophobicContact CZ2-CG 4.47Å; W316-V344 HydrophobicContact CH2-CB 4.21Å; W316-V344 HydrophobicContact CH2-CG1 4.29Å; W316-V344 HydrophobicContact CH2-CG2 4.16Å; W316-V344 HydrophobicContact CZ3-CB 3.9Å; W316-V344 HydrophobicContact CZ3-CG1 3.93Å; W316-V344 HydrophobicContact CZ3-CG2 4.36Å; W316-V369 HydrophobicContact CE3-CG1 3.88Å
317	L	98.9	Very high	97.9	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	127.1	165.3	174.5	61	0	0	0	108.9	F242 A244 L303 F306 I319 V369 L370 V375	F242-L317 HydrophobicContact CD1-CD1 3.69Å; F242-L317 HydrophobicContact CE1-CD1 4.36Å; A244-L317 HydrophobicContact CB-CD1 4.07Å; L303-L317 HydrophobicContact CD2-CD2 3.63Å; F306-L317 HydrophobicContact CB-CD1 4.38Å; F306-L317 HydrophobicContact CB-CD2 4.04Å; F306-L317 HydrophobicContact CD1-CB 3.89Å; F306-L317 HydrophobicContact CD1-CD2 3.95Å; F306-L317 HydrophobicContact CD1-CG 4.41Å; F306-L317 HydrophobicContact CD2-CB 4.05Å; F306-L317 HydrophobicContact CD2-CD1 3.93Å; F306-L317 HydrophobicContact CD2-CG 4.4Å; F306-L317 HydrophobicContact CE1-CB 3.67Å; F306-L317 HydrophobicContact CE2-CB 3.86Å; F306-L317 HydrophobicContact CE2-CD1 4.4Å; F306-L317 HydrophobicContact CG-CB 4.06Å; F306-L317 HydrophobicContact CG-CD1 4.11Å; F306-L317 HydrophobicContact CG-CD2 3.93Å; F306-L317 HydrophobicContact CG-CG 4.26Å; F306-L317 HydrophobicContact CZ-CB 3.66Å; L317-I319 HydrophobicContact CD1-CG1 4.17Å; L317-I319 HydrophobicContact CD2-CD1 3.87Å; L317-I319 HydrophobicContact CD2-CG1 3.95Å; L317-I319 HydrophobicContact CG-CD1 4.28Å; L317-I319 HydrophobicContact CG-CG1 3.8Å; L317-V369 WeakPolarHBondContact O-CA 3.36Å; L317-L370 HydrophobicContact CB-CB 4.49Å; L317-L370 PolarHBondContact N-O 3.47Å; L317-L370 PolarHBondContact O-N 2.89Å; L317-V375 HydrophobicContact CD2-CG2 4.07Å
318	V	98.9	Very high	97.9	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	119.7	171.8	-177.3	0	0	0	0	107.4	I241 F242 V243 A244 V320 I326 L331 M368 V369	I241-V318 HydrophobicContact CG2-CG2 3.59Å; F242-V318 PolarHBondContact O-N 3.3Å; V243-V318 CarbonylContact C-O 3.52Å; V243-V318 WeakPolarHBondContact CA-O 3.43Å; V243-V318 HydrophobicContact CG2-CB 4.38Å; A244-V318 PolarHBondContact N-O 3.05Å; V318-V320 HydrophobicContact CG1-CG1 4.06Å; V318-I326 HydrophobicContact CG1-CD1 4.05Å; V318-L331 HydrophobicContact CG1-CD2 4.21Å; V318-L331 HydrophobicContact CG2-CD2 3.64Å; V318-M368 CarbonylContact C-O 3.57Å; V318-M368 WeakPolarHBondContact CA-O 3.46Å; V318-V369 HydrophobicContact CG1-CG2 4.45Å; V318-V369 HydrophobicContact CG2-CG1 4.28Å; V318-V369 HydrophobicContact CG2-CG2 4.23Å
319	I	98.8	Very high	97.8	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	126	176.5	-50.4	-178.4	0	0	0	107.7	A244 K246 T299 I302 L303 L317 G367 M368 L370	A244-I319 HydrophobicContact CB-CG1 4.41Å; A244-I319 WeakPolarHBondContact O-CA 3.34Å; K246-I319 HydrophobicContact CD-CG2 4.24Å; K246-I319 HydrophobicContact CG-CG2 4.32Å; T299-I319 HydrophobicContact CG2-CD1 4.11Å; I302-I319 HydrophobicContact CG2-CD1 4.38Å; L303-I319 HydrophobicContact CD2-CD1 4Å; L317-I319 HydrophobicContact CD1-CG1 4.17Å; L317-I319 HydrophobicContact CD2-CD1 3.87Å; L317-I319 HydrophobicContact CD2-CG1 3.95Å; L317-I319 HydrophobicContact CG-CD1 4.28Å; L317-I319 HydrophobicContact CG-CG1 3.8Å; I319-G367 WeakPolarHBondContact O-CA 3.37Å; I319-M368 HydrophobicContact CB-CE 3.94Å; I319-M368 HydrophobicContact CD1-CE 4.23Å; I319-M368 HydrophobicContact CG2-CE 3.93Å; I319-M368 PolarHBondContact N-O 3.36Å; I319-M368 PolarHBondContact O-N 3.15Å; I319-L370 HydrophobicContact CD1-CD1 4.46Å
320	V	98.3	Very high	97.7	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	154.5	179.3	-68.1	0	0	0	0	110.5	V243 A244 V245 K246 W263 V318 T324 I326	V243-V320 HydrophobicContact CG1-CG2 4.2Å; A244-V320 PolarHBondContact O-N 2.81Å; V245-V320 WeakPolarHBondContact CA-O 3.26Å; V245-V320 HydrophobicContact CB-CG2 4.48Å; V245-V320 HydrophobicContact CG2-CG2 4Å; K246-V320 PolarHBondContact N-O 3.35Å; W263-V320 HydrophobicContact CH2-CG2 3.75Å; W263-V320 HydrophobicContact CZ2-CG2 3.96Å; V318-V320 HydrophobicContact CG1-CG1 4.06Å; V320-T324 HydrophobicContact CB-CG2 4.13Å; V320-T324 HydrophobicContact CG1-CG2 3.94Å; V320-I326 HydrophobicContact CG1-CD1 4.28Å
321	D	97.8	Very high	97.7	Very high	26 Å²	26	16.4 Å²	16.4	14%	0.139	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	162	168.3	-66.7	-33.2	0	0	0	109.9	K246 D323 T324 G365	K246-D321 WeakPolarHBondContact CE-OD1 3.45Å; K246-D321 IonicContact NZ-OD1 3.94Å; K246-D321 PolarHBondContact NZ-OD1 2.66Å; D321-D323 PolarHBondContact O-N 3.09Å; D321-T324 PolarHBondContact N-OG1 3.1Å; D321-T324 VanDerWaalsContact N-OG1 3.15Å; D321-T324 WeakPolarHBondContact O-CB 3.31Å; D321-T324 PolarHBondContact O-N 3.43Å; D321-T324 VanDerWaalsContact O-N 3.07Å; D321-T324 PolarHBondContact O-OG1 3.37Å; D321-G365 WeakPolarHBondContact OD2-CA 3.47Å
322	D	96.8	Very high	97.7	Very high	5 Å²	5	17.3 Å²	17.3	3%	0.027	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-9.4	179.7	59.8	14.9	0	0	0	114.2	V245 K246 T247 Y251 R255 H437	V245-D322 HydrophobicContact CG1-CB 4.27Å; K246-D322 WeakPolarHBondContact O-CB 3.35Å; K246-D322 PolarHBondContact O-N 2.86Å; T247-D322 WeakPolarHBondContact CA-OD2 3.45Å; T247-D322 VanDerWaalsContact CB-OD2 3.24Å; T247-D322 WeakPolarHBondContact CB-OD2 3.45Å; T247-D322 PolarHBondContact OG1-OD2 2.66Å; Y251-D322 WeakPolarHBondContact CB-OD2 3.37Å; Y251-D322 WeakPolarHBondContact CD2-OD2 3.24Å; R255-D322 HydrophobicContact CB-CB 4.06Å; R255-D322 VanDerWaalsContact CD-CG 3.48Å; R255-D322 WeakPolarHBondContact CD-OD1 3.19Å; R255-D322 IonicContact CZ-OD1 3.68Å; R255-D322 IonicContact NE-OD1 3.76Å; R255-D322 IonicContact NH1-OD1 2.81Å; R255-D322 PolarHBondContact NH1-OD1 3.5Å; D322-H437 PolarHBondContact O-CE1 3.15Å
323	D	97	Very high	97.7	Very high	15 Å²	15	17.7 Å²	17.7	8%	0.08	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.3	20.3	168.6	57.8	-20.8	0	0	0	114.7	R255 D321 H435 K436 H437	R255-D323 VanDerWaalsContact CZ-CG 3.47Å; R255-D323 IonicContact CZ-OD1 3.19Å; R255-D323 IonicContact CZ-OD2 2.95Å; R255-D323 IonicContact NH1-OD1 3.81Å; R255-D323 PolarHBondContact NH1-OD1 3.22Å; R255-D323 VanDerWaalsContact NH1-OD1 3.07Å; R255-D323 IonicContact NH1-OD2 3.94Å; R255-D323 PolarHBondContact NH1-OD2 2.89Å; R255-D323 IonicContact NH2-OD2 3.8Å; R255-D323 PolarHBondContact NH2-OD2 3.13Å; D321-D323 PolarHBondContact O-N 3.09Å; D323-H435 PolarHBondContact O-CD2 3.18Å; D323-H435 IonicContact OD1-CD2 2.77Å; D323-H435 IonicContact OD1-NE2 2.81Å; D323-H435 PolarHBondContact OD1-NE2 3.46Å; D323-H435 IonicContact OD2-NE2 3.07Å; D323-K436 PolarHBondContact O-N 3.15Å; D323-H437 HydrophobicContact CB-CB 4.24Å; D323-H437 PolarHBondContact O-CD2 3.1Å
324	T	98.1	Very high	97.6	Very high	0 Å²	0	11 Å²	11	0%	0	5%	0.051	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	127.9	165.1	-50.9	0	0	0	0	110.5	W263 V320 D321 G365	W263-T324 PolarHBondContact NE1-O 2.84Å; W263-T324 VanDerWaalsContact NE1-O 3.1Å; V320-T324 HydrophobicContact CB-CG2 4.13Å; V320-T324 HydrophobicContact CG1-CG2 3.94Å; D321-T324 PolarHBondContact N-OG1 3.1Å; D321-T324 VanDerWaalsContact N-OG1 3.15Å; D321-T324 WeakPolarHBondContact O-CB 3.31Å; D321-T324 PolarHBondContact O-N 3.43Å; D321-T324 VanDerWaalsContact O-N 3.07Å; D321-T324 PolarHBondContact O-OG1 3.37Å; T324-G365 VanDerWaalsContact CG2-O 3.32Å; T324-G365 WeakPolarHBondContact CG2-O 3.46Å; T324-G365 PolarHBondContact OG1-O 3.09Å
325	L	98	Very high	97.6	Very high	5 Å²	5	10.7 Å²	10.7	3%	0.026	5%	0.05	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	130.5	166.7	-60.6	173.5	0	0	0	108.9	V258 S433 F434 P442 I445 L450	V258-L325 HydrophobicContact CG1-CD2 4Å; L325-S433 CarbonylContact O-C 3.55Å; L325-S433 WeakPolarHBondContact O-CA 3.31Å; L325-S433 WeakPolarHBondContact O-CB 3.12Å; L325-F434 PolarHBondContact N-O 3.2Å; L325-F434 PolarHBondContact O-N 3.24Å; L325-P442 HydrophobicContact CD1-CB 4.04Å; L325-P442 WeakPolarHBondContact CD1-O 3.17Å; L325-P442 HydrophobicContact CD2-CB 4.33Å; L325-I445 HydrophobicContact CD1-CB 3.89Å; L325-I445 HydrophobicContact CD1-CG2 3.7Å; L325-L450 HydrophobicContact CB-CD1 3.49Å; L325-L450 VanDerWaalsContact CB-CD1 3.49Å; L325-L450 WeakPolarHBondContact O-CD1 3.48Å
326	I	97.9	Very high	97.5	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	140.8	-177.3	-168.9	168.9	0	0	0	113	W263 V318 V320 L328 L331 V432	W263-I326 WeakPolarHBondContact CB-O 3.49Å; W263-I326 HydrophobicContact CD2-CG2 3.52Å; W263-I326 HydrophobicContact CE3-CG2 3.77Å; W263-I326 HydrophobicContact CG-CG2 3.93Å; W263-I326 HydrophobicContact CH2-CG2 4.27Å; W263-I326 HydrophobicContact CZ2-CG2 4.04Å; W263-I326 HydrophobicContact CZ3-CG2 4.16Å; V318-I326 HydrophobicContact CG1-CD1 4.05Å; V320-I326 HydrophobicContact CG1-CD1 4.28Å; I326-L328 HydrophobicContact CD1-CD2 4.43Å; I326-L328 HydrophobicContact CG2-CD2 4.26Å; I326-L328 HydrophobicContact CG2-CG 4.47Å; I326-L331 HydrophobicContact CD1-CD2 4.03Å; I326-V432 CarbonylContact C-O 3.55Å; I326-V432 WeakPolarHBondContact CA-O 3.43Å; I326-V432 HydrophobicContact CD1-CG1 4.33Å; I326-V432 HydrophobicContact CG1-CG1 4.08Å; I326-V432 WeakPolarHBondContact CG1-O 3.42Å
327	S	97.6	Very high	97.4	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	6%	0.059	C	C	.	.			trans	-94.3	91.4	171.5	-167.6	0	0	0	0	110.6	P329 R330 L331 V432 L450	S327-P329 VanDerWaalsContact C-CD 3.43Å; S327-P329 VanDerWaalsContact C-N 3.34Å; S327-R330 PolarHBondContact O-N 3.35Å; S327-R330 WeakPolarHBondContact OG-CG 3.08Å; S327-L331 WeakPolarHBondContact O-CB 3.44Å; S327-L331 PolarHBondContact O-N 3.17Å; S327-V432 PolarHBondContact N-O 3.27Å; S327-L450 WeakPolarHBondContact CB-O 3.37Å; S327-L450 PolarHBondContact OG-O 2.82Å
328	L	97.4	Very high	97.4	Very high	5 Å²	5	14.3 Å²	14.3	3%	0.026	6%	0.061	C	C	.	.	H	α-helix	trans	-57.7	-35.8	176.3	-64.1	179.5	0	0	0	114.2	V243 W263 H266 A267 I326 L331 R332	V243-L328 HydrophobicContact CG2-CD1 4.37Å; V243-L328 HydrophobicContact CG2-CD2 4.24Å; W263-L328 HydrophobicContact CE3-CD1 4.06Å; W263-L328 HydrophobicContact CE3-CG 4.4Å; W263-L328 HydrophobicContact CZ3-CD1 4.46Å; H266-L328 HydrophobicContact CB-CB 3.96Å; H266-L328 HydrophobicContact CB-CD1 3.99Å; H266-L328 HydrophobicContact CB-CG 4.47Å; A267-L328 HydrophobicContact CB-CD1 3.68Å; I326-L328 HydrophobicContact CD1-CD2 4.43Å; I326-L328 HydrophobicContact CG2-CD2 4.26Å; I326-L328 HydrophobicContact CG2-CG 4.47Å; L328-L331 HydrophobicContact CD2-CD2 4.07Å; L328-L331 PolarHBondContact O-N 3.36Å; L328-R332 WeakPolarHBondContact O-CD 3.33Å; L328-R332 VanDerWaalsContact O-CG 3.23Å; L328-R332 WeakPolarHBondContact O-CG 3.3Å; L328-R332 PolarHBondContact O-N 3.29Å
329	P	95.6	Very high	97.4	Very high	3 Å²	3	17.3 Å²	17.3	2%	0.019	8%	0.077	C	C	.	.	H	α-helix	trans	-60.7	-44.7	173.4	-25.6	36.6	0	0	0	113.4	S327 R332 R333 D452 L455	S327-P329 VanDerWaalsContact C-CD 3.43Å; S327-P329 VanDerWaalsContact C-N 3.34Å; P329-R332 PolarHBondContact O-N 3.3Å; P329-R333 PolarHBondContact O-N 3.25Å; P329-D452 HydrophobicContact CB-CB 4.04Å; P329-D452 HydrophobicContact CG-CB 4.3Å; P329-L455 HydrophobicContact CB-CD2 4.17Å; P329-L455 HydrophobicContact CG-CD1 4.42Å; P329-L455 HydrophobicContact CG-CD2 3.75Å; P329-L455 HydrophobicContact CG-CG 4.31Å
330	R	95.6	Very high	97.3	Very high	15 Å²	15	19 Å²	19	6%	0.057	9%	0.088	C	C	.	.	H	α-helix	trans	-69.6	-39.3	177.1	-64.2	177.3	-171.7	171.5	-0.8	111.6	S327 R332 R333 L334 P428 S431 V432 W449 D452	S327-R330 PolarHBondContact O-N 3.35Å; S327-R330 WeakPolarHBondContact OG-CG 3.08Å; R330-R332 VanDerWaalsContact C-N 3.3Å; R330-R332 PolarHBondContact O-N 3.36Å; R330-R333 WeakPolarHBondContact O-CB 3.34Å; R330-R333 PolarHBondContact O-N 2.88Å; R330-R333 VanDerWaalsContact O-N 3.11Å; R330-L334 PolarHBondContact O-N 2.92Å; R330-P428 PolarHBondContact NH1-O 3.04Å; R330-P428 PolarHBondContact NH2-O 2.57Å; R330-S431 VanDerWaalsContact CD-O 3.23Å; R330-S431 WeakPolarHBondContact CD-O 3.49Å; R330-S431 PolarHBondContact NH1-O 2.97Å; R330-V432 HydrophobicContact CB-CG2 4.21Å; R330-W449 PolarHBondContact NH1-O 2.67Å; R330-D452 WeakPolarHBondContact CG-OD2 3.24Å; R330-D452 IonicContact NE-OD2 3.99Å
331	L	97.5	Very high	97.3	Very high	0 Å²	0	27 Å²	27	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-56.9	-44.7	172.8	177.7	62.4	0	0	0	111.2	V318 I326 S327 L328 R333 L334 L335 V369 F413 V432	V318-L331 HydrophobicContact CG1-CD2 4.21Å; V318-L331 HydrophobicContact CG2-CD2 3.64Å; I326-L331 HydrophobicContact CD1-CD2 4.03Å; S327-L331 WeakPolarHBondContact O-CB 3.44Å; S327-L331 PolarHBondContact O-N 3.17Å; L328-L331 HydrophobicContact CD2-CD2 4.07Å; L328-L331 PolarHBondContact O-N 3.36Å; L331-R333 VanDerWaalsContact C-N 3.28Å; L331-R333 PolarHBondContact O-N 3.19Å; L331-L334 PolarHBondContact O-N 3.39Å; L331-L334 VanDerWaalsContact O-N 3.16Å; L331-L335 HydrophobicContact CD1-CD1 3.94Å; L331-L335 HydrophobicContact CD1-CD2 4.1Å; L331-L335 HydrophobicContact CD1-CG 3.75Å; L331-L335 HydrophobicContact CD2-CD1 4.29Å; L331-L335 HydrophobicContact CG-CD1 3.81Å; L331-L335 HydrophobicContact CG-CG 4.04Å; L331-L335 WeakPolarHBondContact O-CB 3.41Å; L331-L335 VanDerWaalsContact O-CG 3.31Å; L331-L335 WeakPolarHBondContact O-CG 3.16Å; L331-L335 PolarHBondContact O-N 3.15Å; L331-V369 HydrophobicContact CD1-CG2 3.92Å; L331-V369 HydrophobicContact CD2-CG2 4.39Å; L331-F413 HydrophobicContact CD1-CZ 3.82Å; L331-V432 HydrophobicContact CB-CG1 4.09Å; L331-V432 HydrophobicContact CD1-CG1 4.22Å
332	R	97.3	Very high	97.3	Very high	28 Å²	28	28.7 Å²	28.7	11%	0.106	13%	0.13	C	C	.	.	H	α-helix	trans	-60.4	-34.8	177	-73	163.3	59.9	-146.4	-8.6	113	P235 V236 I241 L328 P329 R330 R336 E458	P235-R332 HydrophobicContact CB-CB 3.85Å; V236-R332 HydrophobicContact CB-CB 4.48Å; V236-R332 PolarHBondContact N-O 3.06Å; V236-R332 WeakPolarHBondContact O-CG 3.42Å; V236-R332 PolarHBondContact O-NE 3.19Å; I241-R332 HydrophobicContact CD1-CG 3.48Å; I241-R332 VanDerWaalsContact CD1-CG 3.48Å; L328-R332 WeakPolarHBondContact O-CD 3.33Å; L328-R332 VanDerWaalsContact O-CG 3.23Å; L328-R332 WeakPolarHBondContact O-CG 3.3Å; L328-R332 PolarHBondContact O-N 3.29Å; P329-R332 PolarHBondContact O-N 3.3Å; R330-R332 VanDerWaalsContact C-N 3.3Å; R330-R332 PolarHBondContact O-N 3.36Å; R332-R336 PolarHBondContact O-N 2.7Å; R332-E458 IonicContact CZ-OE2 3.61Å; R332-E458 VanDerWaalsContact CZ-OE2 3.29Å; R332-E458 IonicContact NH1-OE1 3.49Å; R332-E458 IonicContact NH1-OE2 3.5Å; R332-E458 PolarHBondContact NH1-OE2 2.94Å; R332-E458 IonicContact NH2-OE1 2.89Å; R332-E458 IonicContact NH2-OE2 3.66Å; R332-E458 PolarHBondContact NH2-OE2 2.6Å
333	R	95.9	Very high	97.4	Very high	56 Å²	56	29.7 Å²	29.7	21%	0.211	14%	0.139	C	C	.	.	H	α-helix	trans	-67.6	-46.9	173.4	-69.3	174.8	-164.2	150.3	11.9	110.8	P235 P329 R330 L331 R336 D452	P235-R333 HydrophobicContact CB-CG 4.29Å; P235-R333 HydrophobicContact CG-CG 3.84Å; P329-R333 PolarHBondContact O-N 3.25Å; R330-R333 WeakPolarHBondContact O-CB 3.34Å; R330-R333 PolarHBondContact O-N 2.88Å; R330-R333 VanDerWaalsContact O-N 3.11Å; L331-R333 VanDerWaalsContact C-N 3.28Å; L331-R333 PolarHBondContact O-N 3.19Å; R333-R336 WeakPolarHBondContact O-CB 3.21Å; R333-R336 PolarHBondContact O-N 3.17Å; R333-D452 IonicContact CZ-OD2 3.91Å; R333-D452 IonicContact NH1-OD1 3.65Å; R333-D452 IonicContact NH1-OD2 3.93Å; R333-D452 PolarHBondContact NH1-OD2 2.53Å; R333-D452 IonicContact NH2-OD1 2.7Å; R333-D452 PolarHBondContact NH2-OD1 2.97Å; R333-D452 IonicContact NH2-OD2 3.61Å; R333-D452 PolarHBondContact NH2-OD2 3.1Å
334	L	96.7	Very high	97.5	Very high	4 Å²	4	29 Å²	29	2%	0.021	14%	0.135	C	C	.	.	H	α-helix	trans	-60.5	-48.7	177.4	178.1	63	0	0	0	111.9	L229 P230 R330 L331 R336 C337 Y338 L346 L412 F413 V432	L229-L334 HydrophobicContact CD1-CB 4.27Å; P230-L334 HydrophobicContact CG-CD1 4.31Å; R330-L334 PolarHBondContact O-N 2.92Å; L331-L334 PolarHBondContact O-N 3.39Å; L331-L334 VanDerWaalsContact O-N 3.16Å; L334-R336 PolarHBondContact O-N 3.37Å; L334-R336 VanDerWaalsContact O-N 3.11Å; L334-C337 WeakPolarHBondContact O-CB 3.42Å; L334-C337 PolarHBondContact O-N 2.67Å; L334-Y338 HydrophobicContact CD1-CE2 3.9Å; L334-Y338 HydrophobicContact CG-CE2 4Å; L334-Y338 WeakPolarHBondContact O-CD2 3.34Å; L334-L346 HydrophobicContact CD2-CD2 4.11Å; L334-L346 HydrophobicContact CG-CD2 4.42Å; L334-L412 HydrophobicContact CD1-CD1 4.31Å; L334-L412 HydrophobicContact CD2-CD1 4.26Å; L334-F413 HydrophobicContact CD2-CE2 3.59Å; L334-F413 HydrophobicContact CD2-CZ 4.28Å; L334-V432 HydrophobicContact CD2-CG2 4.26Å
335	L	98.1	Very high	97.5	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.005	14%	0.136	C	C	.	.	H	α-helix	trans	-63.3	-19.7	-177.6	-67.8	-179.7	0	0	0	113.8	V236 I241 W316 L331 C337 Y338 L346 V369	V236-L335 HydrophobicContact CB-CB 4.48Å; V236-L335 HydrophobicContact CG2-CB 3.81Å; I241-L335 HydrophobicContact CD1-CD1 3.98Å; I241-L335 HydrophobicContact CG1-CD1 4.48Å; W316-L335 HydrophobicContact CB-CD1 4.21Å; W316-L335 HydrophobicContact CD2-CD1 4.03Å; W316-L335 HydrophobicContact CD2-CD2 4.22Å; W316-L335 HydrophobicContact CE3-CD2 4.08Å; W316-L335 HydrophobicContact CG-CD1 3.86Å; W316-L335 HydrophobicContact CH2-CD2 4.41Å; W316-L335 HydrophobicContact CZ2-CB 4.48Å; W316-L335 HydrophobicContact CZ3-CD2 4.17Å; L331-L335 HydrophobicContact CD1-CD1 3.94Å; L331-L335 HydrophobicContact CD1-CD2 4.1Å; L331-L335 HydrophobicContact CD1-CG 3.75Å; L331-L335 HydrophobicContact CD2-CD1 4.29Å; L331-L335 HydrophobicContact CG-CD1 3.81Å; L331-L335 HydrophobicContact CG-CG 4.04Å; L331-L335 WeakPolarHBondContact O-CB 3.41Å; L331-L335 VanDerWaalsContact O-CG 3.31Å; L331-L335 WeakPolarHBondContact O-CG 3.16Å; L331-L335 PolarHBondContact O-N 3.15Å; L335-C337 PolarHBondContact O-N 3.37Å; L335-Y338 PolarHBondContact O-N 2.78Å; L335-L346 HydrophobicContact CD2-CD2 3.83Å; L335-V369 HydrophobicContact CD1-CG1 4.16Å; L335-V369 HydrophobicContact CD2-CB 4.48Å; L335-V369 HydrophobicContact CD2-CG1 3.7Å
336	R	97.3	Very high	97.5	Very high	111 Å²	111	28.9 Å²	28.9	42%	0.419	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-29	174.3	175.6	54.6	62.3	174.4	10.3	112.1	C232 S234 P235 V236 R332 R333 L334 Y338	C232-R336 HydrophobicContact CB-CB 4.32Å; C232-R336 HydrophobicContact CB-CG 3.89Å; C232-R336 WeakPolarHBondContact O-CG 3.44Å; S234-R336 WeakPolarHBondContact O-CG 3.44Å; S234-R336 VanDerWaalsContact O-CZ 3.24Å; S234-R336 PolarHBondContact O-NE 3.1Å; S234-R336 PolarHBondContact O-NH2 3.13Å; S234-R336 VanDerWaalsContact O-NH2 3.12Å; P235-R336 PolarHBondContact O-NH2 3.39Å; P235-R336 VanDerWaalsContact O-NH2 3.08Å; V236-R336 HydrophobicContact CG2-CB 4.36Å; R332-R336 PolarHBondContact O-N 2.7Å; R333-R336 WeakPolarHBondContact O-CB 3.21Å; R333-R336 PolarHBondContact O-N 3.17Å; L334-R336 PolarHBondContact O-N 3.37Å; L334-R336 VanDerWaalsContact O-N 3.11Å; R336-Y338 PolarHBondContact O-N 3.02Å
337	C	97	Very high	97.5	Very high	16 Å²	16	28.9 Å²	28.9	11%	0.108	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-19.1	-179.9	-58.4	0	0	0	0	113.4	Y42 P230 C232 L334 L335	Y42-C337 WeakPolarHBondContact CB-O 3.45Å; Y42-C337 HydrophobicContact CD1-CB 4.15Å; Y42-C337 HydrophobicContact CD2-CB 3.75Å; Y42-C337 HydrophobicContact CE1-CB 4.02Å; Y42-C337 HydrophobicContact CE2-CB 3.59Å; Y42-C337 HydrophobicContact CG-CB 4.02Å; P230-C337 WeakPolarHBondContact CG-SG 3Å; C232-C337 HydrophobicContact CB-CB 3.89Å; C232-C337 WeakPolarHBondContact CB-SG 3.46Å; C232-C337 WeakPolarHBondContact SG-CA 3.4Å; C232-C337 WeakPolarHBondContact SG-CB 3.37Å; C232-C337 CovalentContact SG-SG 2.03Å; C232-C337 PolarHBondContact SG-SG 2.87Å; L334-C337 WeakPolarHBondContact O-CB 3.42Å; L334-C337 PolarHBondContact O-N 2.67Å; L335-C337 PolarHBondContact O-N 3.37Å
338	Y	98.3	Very high	97.5	Very high	10 Å²	10	29.5 Å²	29.5	4%	0.039	14%	0.138	C	C	.	.	S	Bend	trans	-102.3	140.9	-174.4	-59.5	-87.1	0	0	0	111	N40 Y42 H43 L334 L335 R336 P340 V344 L346 T408	N40-Y338 WeakPolarHBondContact OD1-CD1 3.31Å; Y42-Y338 HydrophobicContact CD1-CE1 4.12Å; H43-Y338 AromaticContact NE2-CE1 3.85Å; H43-Y338 AromaticContact NE2-CZ 3.82Å; H43-Y338 PolarHBondContact NE2-OH 2.73Å; L334-Y338 HydrophobicContact CD1-CE2 3.9Å; L334-Y338 HydrophobicContact CG-CE2 4Å; L334-Y338 WeakPolarHBondContact O-CD2 3.34Å; L335-Y338 PolarHBondContact O-N 2.78Å; R336-Y338 PolarHBondContact O-N 3.02Å; Y338-P340 WeakPolarHBondContact O-CD 3.39Å; Y338-V344 HydrophobicContact CD1-CG1 4.21Å; Y338-V344 HydrophobicContact CG-CG1 4.47Å; Y338-L346 HydrophobicContact CD2-CD2 4.12Å; Y338-L346 HydrophobicContact CE1-CD1 4.26Å; Y338-L346 HydrophobicContact CE2-CD1 4.31Å; Y338-L346 HydrophobicContact CE2-CD2 3.67Å; Y338-L346 WeakPolarHBondContact OH-CD1 3.44Å; Y338-T408 HydrophobicContact CE1-CG2 4Å
339	N	97.9	Very high	97.5	Very high	63 Å²	63	30.3 Å²	30.3	34%	0.337	14%	0.141	S	C	.	.			trans	-79.7	113.2	173.4	178.7	5.9	0	0	0	109.9	K341 E342	N339-K341 PolarHBondContact O-N 3Å; N339-K341 VanDerWaalsContact O-N 3.08Å; N339-K341 WeakPolarHBondContact OD1-CB 2.92Å; N339-K341 PolarHBondContact OD1-N 3.08Å; N339-K341 VanDerWaalsContact OD1-N 3.11Å; N339-E342 HydrophobicContact CB-CG 4.18Å; N339-E342 WeakPolarHBondContact CB-OE1 3.32Å; N339-E342 PolarHBondContact ND2-OE1 2.86Å; N339-E342 PolarHBondContact O-N 2.89Å
340	P	97.3	Very high	97.6	Very high	36 Å²	36	31 Å²	31	23%	0.234	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-12.6	-177.7	27.5	-35.3	0	0	0	113.8	D315 W316 Y338 E342	D315-P340 HydrophobicContact CB-CB 3.7Å; D315-P340 HydrophobicContact CB-CG 4.41Å; W316-P340 HydrophobicContact CH2-CB 4.35Å; W316-P340 HydrophobicContact CZ2-CB 3.7Å; W316-P340 HydrophobicContact CZ2-CG 4.47Å; Y338-P340 WeakPolarHBondContact O-CD 3.39Å; P340-E342 VanDerWaalsContact C-N 3.34Å
341	K	98.1	Very high	97.7	Very high	168 Å²	168	30.3 Å²	30.3	73%	0.73	14%	0.14	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-16.5	175.7	-61.1	-178.2	179	178.8	0	112.7	N339 T373	N339-K341 PolarHBondContact O-N 3Å; N339-K341 VanDerWaalsContact O-N 3.08Å; N339-K341 WeakPolarHBondContact OD1-CB 2.92Å; N339-K341 PolarHBondContact OD1-N 3.08Å; N339-K341 VanDerWaalsContact OD1-N 3.11Å; K341-T373 WeakPolarHBondContact O-CG2 3.43Å; K341-T373 PolarHBondContact O-OG1 2.9Å
342	E	98.3	Very high	97.6	Very high	62 Å²	62	34.4 Å²	34.4	29%	0.29	16%	0.156	S	C	.	.	S	Bend	trans	-84.2	157.5	173.5	-72.9	164.9	-148.1	0	0	111	S41 N339 P340 V344 S371	S41-E342 WeakPolarHBondContact CB-OE2 3.3Å; S41-E342 VanDerWaalsContact OG-CD 3.26Å; S41-E342 PolarHBondContact OG-OE1 2.74Å; S41-E342 PolarHBondContact OG-OE2 2.84Å; N339-E342 HydrophobicContact CB-CG 4.18Å; N339-E342 WeakPolarHBondContact CB-OE1 3.32Å; N339-E342 PolarHBondContact ND2-OE1 2.86Å; N339-E342 PolarHBondContact O-N 2.89Å; P340-E342 VanDerWaalsContact C-N 3.34Å; E342-V344 VanDerWaalsContact C-N 3.3Å; E342-V344 HydrophobicContact CB-CG2 4.24Å; E342-V344 PolarHBondContact O-N 2.87Å; E342-S371 WeakPolarHBondContact O-CB 3.34Å; E342-S371 PolarHBondContact O-OG 2.98Å
343	A	98.3	Very high	97.4	Very high	26 Å²	26	33.6 Å²	33.6	22%	0.215	16%	0.157	C	C	.	.			trans	-74.5	83.6	173.7	0	0	0	0	0	110.4	T373 A374 I377 V405	A343-T373 HydrophobicContact CB-CG2 4.31Å; A343-A374 HydrophobicContact CB-CB 4.24Å; A343-I377 HydrophobicContact CB-CD1 3.84Å; A343-V405 HydrophobicContact CB-CG1 4.01Å; A343-V405 HydrophobicContact CB-CG2 3.8Å
344	V	98.6	Very high	97.3	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.148	C	C	.	.			trans	-92	125.6	178.3	-178.1	0	0	0	0	110.8	W316 Y338 E342 L346 L370 S371 A374	W316-V344 HydrophobicContact CH2-CB 4.21Å; W316-V344 HydrophobicContact CH2-CG1 4.29Å; W316-V344 HydrophobicContact CH2-CG2 4.16Å; W316-V344 HydrophobicContact CZ3-CB 3.9Å; W316-V344 HydrophobicContact CZ3-CG1 3.93Å; W316-V344 HydrophobicContact CZ3-CG2 4.36Å; Y338-V344 HydrophobicContact CD1-CG1 4.21Å; Y338-V344 HydrophobicContact CG-CG1 4.47Å; E342-V344 VanDerWaalsContact C-N 3.3Å; E342-V344 HydrophobicContact CB-CG2 4.24Å; E342-V344 PolarHBondContact O-N 2.87Å; V344-L346 HydrophobicContact CG1-CB 4.04Å; V344-L370 WeakPolarHBondContact O-CA 3.38Å; V344-S371 PolarHBondContact N-OG 3.44Å; V344-S371 PolarHBondContact O-N 3.31Å; V344-S371 PolarHBondContact O-OG 3.48Å; V344-A374 WeakPolarHBondContact O-CB 3.47Å
345	S	98.3	Very high	97	Very high	2 Å²	2	32.9 Å²	32.9	1%	0.014	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	115.3	161.6	-176.6	0	0	0	0	108.6	T362 L370 T408	S345-T362 PolarHBondContact OG-OG1 2.83Å; S345-L370 WeakPolarHBondContact OG-CD2 3.32Å; S345-T408 WeakPolarHBondContact O-CA 3.4Å; S345-T408 VanDerWaalsContact O-CB 3.27Å; S345-T408 WeakPolarHBondContact O-CB 3.45Å; S345-T408 PolarHBondContact O-N 3.41Å; S345-T408 PolarHBondContact O-OG1 3.49Å
346	L	98.7	Very high	96.6	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	136.3	-168.2	176.4	70.5	0	0	0	111.7	L334 L335 Y338 V344 V369 T408 F413	L334-L346 HydrophobicContact CD2-CD2 4.11Å; L334-L346 HydrophobicContact CG-CD2 4.42Å; L335-L346 HydrophobicContact CD2-CD2 3.83Å; Y338-L346 HydrophobicContact CD2-CD2 4.12Å; Y338-L346 HydrophobicContact CE1-CD1 4.26Å; Y338-L346 HydrophobicContact CE2-CD1 4.31Å; Y338-L346 HydrophobicContact CE2-CD2 3.67Å; Y338-L346 WeakPolarHBondContact OH-CD1 3.44Å; V344-L346 HydrophobicContact CG1-CB 4.04Å; L346-V369 HydrophobicContact CB-CB 4.28Å; L346-V369 PolarHBondContact N-O 3Å; L346-V369 PolarHBondContact O-N 3.26Å; L346-T408 WeakPolarHBondContact CA-O 3.27Å; L346-T408 HydrophobicContact CD1-CG2 3.83Å; L346-F413 HydrophobicContact CD2-CE2 4.44Å; L346-F413 HydrophobicContact CG-CE2 4.28Å
347	G	98.3	Very high	96.2	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	164.6	-154.5	168.2	0	0	0	0	0	111.3	T362 T408 H409 S410	G347-T362 VanDerWaalsContact CA-CG2 3.41Å; G347-T408 PolarHBondContact N-O 3.35Å; G347-H409 CarbonylContact O-C 3.49Å; G347-H409 WeakPolarHBondContact O-CA 3.41Å; G347-S410 PolarHBondContact O-N 2.85Å
348	E	97.8	Very high	96	Very high	14 Å²	14	39.2 Å²	39.2	7%	0.065	20%	0.198	C	C	.	.			trans	-75.1	128.1	172.7	-166.7	-176	-147.4	0	0	108.6	Y350 T362 T363 F413 Q415 Y421	E348-Y350 HydrophobicContact CG-CD1 4.47Å; E348-Y350 HydrophobicContact CG-CE1 3.97Å; E348-T362 CarbonylContact O-C 3.53Å; E348-T362 VanDerWaalsContact O-CA 3.3Å; E348-T362 WeakPolarHBondContact O-CA 3.46Å; E348-T363 HydrophobicContact CB-CG2 4.48Å; E348-T363 PolarHBondContact O-N 3.03Å; E348-T363 PolarHBondContact OE2-OG1 3.49Å; E348-F413 HydrophobicContact CB-CB 3.96Å; E348-F413 WeakPolarHBondContact CB-O 3.49Å; E348-Q415 WeakPolarHBondContact OE2-CA 3.31Å; E348-Q415 WeakPolarHBondContact OE2-CB 2.88Å; E348-Q415 PolarHBondContact OE2-N 3.49Å; E348-Y421 PolarHBondContact OE1-OH 3.48Å
349	R	97.6	Very high	95.9	Very high	22 Å²	22	39.9 Å²	39.9	8%	0.083	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	121.8	-171.4	177.6	174.6	68.4	-154.2	-5.8	109.4	W81 Y361 I407 H409	W81-R349 VanDerWaalsContact CG-CZ 3.42Å; W81-R349 VanDerWaalsContact CG-NH2 3.27Å; W81-R349 HydrophobicContact CZ2-CG 4.07Å; R349-Y361 WeakPolarHBondContact CA-O 3.41Å; R349-I407 HydrophobicContact CB-CG2 4.07Å; R349-I407 WeakPolarHBondContact CD-O 3.44Å; R349-I407 HydrophobicContact CG-CB 4.34Å; R349-I407 HydrophobicContact CG-CG2 3.7Å; R349-I407 PolarHBondContact NH1-O 2.75Å; R349-H409 HydrophobicContact CB-CB 3.67Å; R349-H409 PolarHBondContact N-ND1 2.76Å; R349-H409 VanDerWaalsContact N-ND1 3.15Å
350	Y	97.4	Very high	95.9	Very high	17 Å²	17	37 Å²	37	7%	0.067	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	159.9	167.6	-72.2	3.6	0	0	0	110.7	T187 I188 E348 S360 Y361 T363 Q415	T187-Y350 CarbonylContact O-C 3.58Å; T187-Y350 VanDerWaalsContact O-CA 3.25Å; T187-Y350 WeakPolarHBondContact O-CA 3.49Å; T187-Y350 WeakPolarHBondContact O-CB 3.3Å; I188-Y350 HydrophobicContact CB-CE1 4.29Å; I188-Y350 HydrophobicContact CB-CE2 4.27Å; I188-Y350 HydrophobicContact CD1-CE2 4.13Å; I188-Y350 HydrophobicContact CG1-CD2 3.84Å; I188-Y350 HydrophobicContact CG1-CE2 3.76Å; I188-Y350 HydrophobicContact CG1-CG 4.3Å; I188-Y350 HydrophobicContact CG2-CE1 3.81Å; I188-Y350 HydrophobicContact CG2-CE2 3.97Å; I188-Y350 VanDerWaalsContact CG2-CZ 3.49Å; I188-Y350 WeakPolarHBondContact CG2-OH 3.25Å; E348-Y350 HydrophobicContact CG-CD1 4.47Å; E348-Y350 HydrophobicContact CG-CE1 3.97Å; Y350-S360 CarbonylContact O-C 3.55Å; Y350-S360 VanDerWaalsContact O-CA 3.27Å; Y350-S360 WeakPolarHBondContact O-CA 3.45Å; Y350-Y361 VanDerWaalsContact CB-CZ 3.5Å; Y350-Y361 HydrophobicContact CD2-CE2 4.29Å; Y350-Y361 HydrophobicContact CG-CE2 4.49Å; Y350-Y361 PolarHBondContact N-O 3.48Å; Y350-Y361 PolarHBondContact O-N 2.95Å; Y350-T363 HydrophobicContact CD1-CG2 3.69Å; Y350-T363 HydrophobicContact CD2-CG2 3.47Å; Y350-T363 VanDerWaalsContact CD2-CG2 3.47Å; Y350-T363 HydrophobicContact CE1-CG2 3.8Å; Y350-T363 HydrophobicContact CE2-CG2 3.62Å; Y350-T363 HydrophobicContact CG-CG2 3.5Å; Y350-Q415 HydrophobicContact CE2-CG 4.35Å
351	G	96.6	Very high	95.9	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	148.9	174.9	0	0	0	0	0	111.6	F186 T187	F186-G351 CarbonylContact C-O 3.52Å; F186-G351 VanDerWaalsContact CA-O 3.3Å; F186-G351 WeakPolarHBondContact CA-O 3.41Å; T187-G351 PolarHBondContact N-O 3.25Å; T187-G351 PolarHBondContact O-N 3.24Å
352	Y	95.7	Very high	95.9	Very high	86 Å²	86	28.1 Å²	28.1	34%	0.337	14%	0.143	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	119.7	168.8	178.7	-101.8	0	0	0	109.4	D185 F186 L354 G358 Y359 M394	D185-Y352 CarbonylContact O-C 3.4Å; D185-Y352 VanDerWaalsContact O-CA 3.26Å; D185-Y352 WeakPolarHBondContact O-CA 3.26Å; D185-Y352 WeakPolarHBondContact O-CD2 3.31Å; F186-Y352 HydrophobicContact CD1-CD2 4.03Å; F186-Y352 AromaticContact CE1-CD2 3.65Å; F186-Y352 HydrophobicContact CE1-CD2 3.65Å; F186-Y352 HydrophobicContact CE1-CE2 4.31Å; F186-Y352 HydrophobicContact CE2-CD2 4.34Å; F186-Y352 HydrophobicContact CE2-CE2 4.33Å; F186-Y352 AromaticContact CZ-CD2 3.82Å; F186-Y352 HydrophobicContact CZ-CD2 3.82Å; F186-Y352 AromaticContact CZ-CE2 4Å; F186-Y352 HydrophobicContact CZ-CE2 4Å; Y352-L354 PolarHBondContact O-N 2.9Å; Y352-G358 CarbonylContact O-C 3.59Å; Y352-G358 WeakPolarHBondContact O-CA 3.18Å; Y352-Y359 HydrophobicContact CD1-CD1 4.4Å; Y352-Y359 AromaticContact CD1-CE1 3.63Å; Y352-Y359 HydrophobicContact CD1-CE1 3.63Å; Y352-Y359 AromaticContact CD1-CZ 3.84Å; Y352-Y359 HydrophobicContact CE1-CE1 4.38Å; Y352-Y359 HydrophobicContact CG-CE1 4.48Å; Y352-Y359 PolarHBondContact N-O 2.86Å; Y352-Y359 PolarHBondContact O-N 2.74Å; Y352-M394 HydrophobicContact CD1-CE 4.24Å; Y352-M394 HydrophobicContact CD2-CE 3.56Å; Y352-M394 HydrophobicContact CE2-CE 4.1Å; Y352-M394 HydrophobicContact CG-CE 3.64Å
353	G	94.3	Very high	95.9	Very high	12 Å²	12	25.2 Å²	25.2	12%	0.124	13%	0.13	C	C	.	.	S	Bend	trans	65.4	31.1	176	0	0	0	0	0	115	S184 D185 M355 Q356 G358	S184-G353 WeakPolarHBondContact O-CA 3Å; D185-G353 PolarHBondContact O-N 3.39Å; G353-M355 PolarHBondContact O-N 2.85Å; G353-M355 VanDerWaalsContact O-N 3.09Å; G353-Q356 CarbonylContact O-C 2.96Å; G353-Q356 PolarHBondContact O-N 3.4Å; G353-G358 VanDerWaalsContact O-CA 3.31Å; G353-G358 WeakPolarHBondContact O-CA 3.34Å; G353-G358 PolarHBondContact O-N 2.93Å
354	L	93.3	Very high	95.8	Very high	2 Å²	2	24 Å²	24	1%	0.01	12%	0.121	C	C	.	.	G	3₁₀ helix	trans	-64.9	-16.6	-170.7	-63.2	-173	0	0	0	114.7	Y77 W81 P85 T187 Y352 Q356	Y77-L354 WeakPolarHBondContact CE1-O 3.27Å; Y77-L354 VanDerWaalsContact OH-CA 3.32Å; Y77-L354 WeakPolarHBondContact OH-CA 3.47Å; Y77-L354 PolarHBondContact OH-O 2.86Å; W81-L354 HydrophobicContact CZ2-CD1 3.69Å; P85-L354 WeakPolarHBondContact CG-O 3.49Å; T187-L354 HydrophobicContact CG2-CD1 4.35Å; Y352-L354 PolarHBondContact O-N 2.9Å; L354-Q356 VanDerWaalsContact C-N 3.31Å
355	M	90.8	Very high	95.6	Very high	43 Å²	43	24.1 Å²	24.1	21%	0.212	12%	0.121	C	C	.	.	G	3₁₀ helix	trans	-80.9	-10.6	171.6	-63.8	-53	-56.1	0	0	113.5	L84 P85 I177 L182 G353	L84-M355 HydrophobicContact CB-CE 4.42Å; L84-M355 HydrophobicContact CB-SD 3.66Å; P85-M355 HydrophobicContact CG-SD 3.75Å; I177-M355 HydrophobicContact CB-CE 4.46Å; I177-M355 HydrophobicContact CG1-CE 4.23Å; I177-M355 HydrophobicContact CG2-CE 3.49Å; I177-M355 VanDerWaalsContact CG2-CE 3.49Å; L182-M355 HydrophobicContact CB-CB 4.4Å; L182-M355 HydrophobicContact CB-CG 4.27Å; L182-M355 HydrophobicContact CD1-CE 4.09Å; G353-M355 PolarHBondContact O-N 2.85Å; G353-M355 VanDerWaalsContact O-N 3.09Å
356	Q	89.9	Confident	95.6	Very high	106 Å²	106	24 Å²	24	50%	0.495	12%	0.121	S	C	.	.	G	3₁₀ helix	trans	-128.4	38.8	-172.2	-65.2	170.9	43.7	0	0	111.7	L182 G353 L354 G358	L182-Q356 PolarHBondContact O-NE2 3.34Å; G353-Q356 CarbonylContact O-C 2.96Å; G353-Q356 PolarHBondContact O-N 3.4Å; L354-Q356 VanDerWaalsContact C-N 3.31Å; Q356-G358 VanDerWaalsContact C-N 3.28Å; Q356-G358 PolarHBondContact O-N 3.18Å
357	N	88.2	Confident	95.5	Very high	138 Å²	138	24 Å²	24	74%	0.738	12%	0.121	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.3	39.5	-176.7	-61	-38.3	0	0	0	113.7	Y77	Y77-N357 HydrophobicContact CE2-CB 4.41Å; Y77-N357 WeakPolarHBondContact OH-CA 3.32Å; Y77-N357 PolarHBondContact OH-N 2.87Å
358	G	93.5	Very high	95.6	Very high	17 Å²	17	24.2 Å²	24.2	18%	0.175	12%	0.121	C	C	.	.			trans	-72.3	-158.3	174.4	0	0	0	0	0	113.5	Y77 Y352 G353 Q356	Y77-G358 PolarHBondContact OH-N 3.18Å; Y352-G358 CarbonylContact O-C 3.59Å; Y352-G358 WeakPolarHBondContact O-CA 3.18Å; G353-G358 VanDerWaalsContact O-CA 3.31Å; G353-G358 WeakPolarHBondContact O-CA 3.34Å; G353-G358 PolarHBondContact O-N 2.93Å; Q356-G358 VanDerWaalsContact C-N 3.28Å; Q356-G358 PolarHBondContact O-N 3.18Å
359	Y	95.8	Very high	95.6	Very high	23 Å²	23	23.5 Å²	23.5	9%	0.09	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	162.2	-174.3	57.6	-86.8	0	0	0	111.9	Y352 M394 R398 T401	Y352-Y359 HydrophobicContact CD1-CD1 4.4Å; Y352-Y359 AromaticContact CD1-CE1 3.63Å; Y352-Y359 HydrophobicContact CD1-CE1 3.63Å; Y352-Y359 AromaticContact CD1-CZ 3.84Å; Y352-Y359 HydrophobicContact CE1-CE1 4.38Å; Y352-Y359 HydrophobicContact CG-CE1 4.48Å; Y352-Y359 PolarHBondContact N-O 2.86Å; Y352-Y359 PolarHBondContact O-N 2.74Å; Y359-M394 HydrophobicContact CE2-CB 4.37Å; Y359-M394 WeakPolarHBondContact CE2-O 3.25Å; Y359-R398 HydrophobicContact CD1-CB 4.34Å; Y359-R398 HydrophobicContact CD1-CG 4.42Å; Y359-R398 HydrophobicContact CD2-CB 3.98Å; Y359-R398 HydrophobicContact CE1-CB 4.22Å; Y359-R398 HydrophobicContact CE1-CG 4.36Å; Y359-R398 HydrophobicContact CE2-CB 3.82Å; Y359-R398 HydrophobicContact CG-CB 4.24Å; Y359-R398 PolarHBondContact OH-NH2 3.45Å; Y359-T401 WeakPolarHBondContact CB-OG1 3.27Å
360	S	97.1	Very high	95.7	Very high	3 Å²	3	22.5 Å²	22.5	2%	0.021	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	156.1	174.7	-55.3	0	0	0	0	110.7	W81 Y350 G397 I407	W81-S360 PolarHBondContact NE1-OG 2.98Å; Y350-S360 CarbonylContact O-C 3.55Å; Y350-S360 VanDerWaalsContact O-CA 3.27Å; Y350-S360 WeakPolarHBondContact O-CA 3.45Å; S360-G397 CarbonylContact O-C 3.6Å; S360-G397 WeakPolarHBondContact O-CA 3.48Å; S360-I407 WeakPolarHBondContact O-CG1 3.36Å
361	Y	97.9	Very high	95.7	Very high	13 Å²	13	21.7 Å²	21.7	5%	0.051	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	153.9	175.2	60.4	-82.8	0	0	0	111.1	F186 R349 Y350 T363 D393 M394	F186-Y361 WeakPolarHBondContact CD1-OH 3.46Å; R349-Y361 WeakPolarHBondContact CA-O 3.41Å; Y350-Y361 VanDerWaalsContact CB-CZ 3.5Å; Y350-Y361 HydrophobicContact CD2-CE2 4.29Å; Y350-Y361 HydrophobicContact CG-CE2 4.49Å; Y350-Y361 PolarHBondContact N-O 3.48Å; Y350-Y361 PolarHBondContact O-N 2.95Å; Y361-T363 HydrophobicContact CE2-CG2 4.48Å; Y361-D393 WeakPolarHBondContact CB-O 3.33Å; Y361-D393 HydrophobicContact CD2-CB 3.95Å; Y361-M394 HydrophobicContact CD1-CG 4.33Å; Y361-M394 HydrophobicContact CD2-CG 4.27Å; Y361-M394 HydrophobicContact CE1-CG 4.18Å; Y361-M394 HydrophobicContact CE2-CG 4.09Å; Y361-M394 HydrophobicContact CG-CG 4.37Å
362	T	98.1	Very high	95.8	Very high	4 Å²	4	24.1 Å²	24.1	3%	0.025	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	126.3	170.9	-51.5	0	0	0	0	108.5	S345 G347 E348 G364 M368 D393 I407	S345-T362 PolarHBondContact OG-OG1 2.83Å; G347-T362 VanDerWaalsContact CA-CG2 3.41Å; E348-T362 CarbonylContact O-C 3.53Å; E348-T362 VanDerWaalsContact O-CA 3.3Å; E348-T362 WeakPolarHBondContact O-CA 3.46Å; T362-G364 PolarHBondContact O-N 2.88Å; T362-M368 HydrophobicContact CG2-CB 4.24Å; T362-M368 HydrophobicContact CG2-CG 3.84Å; T362-D393 WeakPolarHBondContact O-CB 3.48Å; T362-I407 WeakPolarHBondContact OG1-CG2 3.34Å
363	T	97.6	Very high	96	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.006	12%	0.118	C	C	.	.			trans	-61.7	135.6	-178.3	64.8	0	0	0	0	111.4	E348 Y350 Y361 M368 Q415	E348-T363 HydrophobicContact CB-CG2 4.48Å; E348-T363 PolarHBondContact O-N 3.03Å; E348-T363 PolarHBondContact OE2-OG1 3.49Å; Y350-T363 HydrophobicContact CD1-CG2 3.69Å; Y350-T363 HydrophobicContact CD2-CG2 3.47Å; Y350-T363 VanDerWaalsContact CD2-CG2 3.47Å; Y350-T363 HydrophobicContact CE1-CG2 3.8Å; Y350-T363 HydrophobicContact CE2-CG2 3.62Å; Y350-T363 HydrophobicContact CG-CG2 3.5Å; Y361-T363 HydrophobicContact CE2-CG2 4.48Å; T363-M368 WeakPolarHBondContact O-CG 3.25Å; T363-Q415 VanDerWaalsContact CB-OE1 3.3Å; T363-Q415 HydrophobicContact CG2-CB 4.23Å; T363-Q415 HydrophobicContact CG2-CG 4.35Å; T363-Q415 PolarHBondContact OG1-OE1 2.94Å
364	G	96	Very high	96.2	Very high	2 Å²	2	21.6 Å²	21.6	2%	0.021	11%	0.112	C	C	.	.	S	Bend	trans	-67.2	-46.6	-177.9	0	0	0	0	0	113.1	T362 G367 D393	T362-G364 PolarHBondContact O-N 2.88Å; G364-G367 PolarHBondContact O-N 3.48Å; G364-G367 VanDerWaalsContact O-N 3.08Å; G364-D393 PolarHBondContact N-OD2 2.81Å
365	G	95.9	Very high	96.5	Very high	1 Å²	1	21.5 Å²	21.5	1%	0.01	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-34	-175.4	0	0	0	0	0	113.4	D321 T324 G367 Q415 H435	D321-G365 WeakPolarHBondContact OD2-CA 3.47Å; T324-G365 VanDerWaalsContact CG2-O 3.32Å; T324-G365 WeakPolarHBondContact CG2-O 3.46Å; T324-G365 PolarHBondContact OG1-O 3.09Å; G365-G367 PolarHBondContact O-N 2.56Å; G365-G367 VanDerWaalsContact O-N 3.17Å; G365-Q415 VanDerWaalsContact C-OE1 3.28Å; G365-H435 VanDerWaalsContact CA-CD2 3.45Å; G365-H435 WeakPolarHBondContact CA-CD2 3.45Å; G365-H435 WeakPolarHBondContact O-CB 3.46Å; G365-H435 PolarHBondContact O-CD2 3.43Å
366	G	96.8	Very high	96.8	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-17.4	170.7	0	0	0	0	0	112.8	F413 H414 S433	G366-F413 WeakPolarHBondContact O-CD1 3.11Å; G366-H414 WeakPolarHBondContact CA-O 3.35Å; G366-S433 VanDerWaalsContact O-CB 3.27Å; G366-S433 WeakPolarHBondContact O-CB 3.29Å; G366-S433 PolarHBondContact O-OG 3.25Å
367	G	98.1	Very high	97.2	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.113	C	C	.	.			trans	91.2	133.1	-176.5	0	0	0	0	0	111.4	I319 G364 G365 F413	I319-G367 WeakPolarHBondContact O-CA 3.37Å; G364-G367 PolarHBondContact O-N 3.48Å; G364-G367 VanDerWaalsContact O-N 3.08Å; G365-G367 PolarHBondContact O-N 2.56Å; G365-G367 VanDerWaalsContact O-N 3.17Å; G367-F413 WeakPolarHBondContact O-CD1 3.45Å
368	M	98.5	Very high	97.7	Very high	4 Å²	4	13.8 Å²	13.8	2%	0.02	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	136.4	-178.2	-57.3	178.3	-69.7	0	0	110.2	V318 I319 T362 T363 D393	V318-M368 CarbonylContact C-O 3.57Å; V318-M368 WeakPolarHBondContact CA-O 3.46Å; I319-M368 HydrophobicContact CB-CE 3.94Å; I319-M368 HydrophobicContact CD1-CE 4.23Å; I319-M368 HydrophobicContact CG2-CE 3.93Å; I319-M368 PolarHBondContact N-O 3.36Å; I319-M368 PolarHBondContact O-N 3.15Å; T362-M368 HydrophobicContact CG2-CB 4.24Å; T362-M368 HydrophobicContact CG2-CG 3.84Å; T363-M368 WeakPolarHBondContact O-CG 3.25Å; M368-D393 HydrophobicContact SD-CB 4.47Å
369	V	98.9	Very high	97.9	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	122.7	173	-170.3	0	0	0	0	110.4	W316 L317 V318 L331 L335 L346 F413	W316-V369 HydrophobicContact CE3-CG1 3.88Å; L317-V369 WeakPolarHBondContact O-CA 3.36Å; V318-V369 HydrophobicContact CG1-CG2 4.45Å; V318-V369 HydrophobicContact CG2-CG1 4.28Å; V318-V369 HydrophobicContact CG2-CG2 4.23Å; L331-V369 HydrophobicContact CD1-CG2 3.92Å; L331-V369 HydrophobicContact CD2-CG2 4.39Å; L335-V369 HydrophobicContact CD1-CG1 4.16Å; L335-V369 HydrophobicContact CD2-CB 4.48Å; L335-V369 HydrophobicContact CD2-CG1 3.7Å; L346-V369 HydrophobicContact CB-CB 4.28Å; L346-V369 PolarHBondContact N-O 3Å; L346-V369 PolarHBondContact O-N 3.26Å; V369-F413 HydrophobicContact CG2-CE1 3.97Å; V369-F413 HydrophobicContact CG2-CZ 3.85Å
370	L	98.9	Very high	98.1	Very high	1 Å²	1	18.8 Å²	18.8	1%	0.005	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	131	179.7	-55.9	178.4	0	0	0	109.5	L303 L317 I319 V344 S345 V375 L396 F400	L303-L370 HydrophobicContact CD2-CD1 3.76Å; L317-L370 HydrophobicContact CB-CB 4.49Å; L317-L370 PolarHBondContact N-O 3.47Å; L317-L370 PolarHBondContact O-N 2.89Å; I319-L370 HydrophobicContact CD1-CD1 4.46Å; V344-L370 WeakPolarHBondContact O-CA 3.38Å; S345-L370 WeakPolarHBondContact OG-CD2 3.32Å; L370-V375 HydrophobicContact CB-CG2 3.71Å; L370-V375 HydrophobicContact CD1-CG2 3.98Å; L370-L396 HydrophobicContact CD1-CD2 4.07Å; L370-F400 HydrophobicContact CD1-CZ 4.49Å; L370-F400 HydrophobicContact CD2-CE2 3.82Å; L370-F400 HydrophobicContact CD2-CZ 3.82Å
371	S	98.9	Very high	98.1	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	152	164.2	60.3	0	0	0	0	110.5	D315 E342 V344 T373 A374 V375	D315-S371 CarbonylContact O-C 3.47Å; E342-S371 WeakPolarHBondContact O-CB 3.34Å; E342-S371 PolarHBondContact O-OG 2.98Å; V344-S371 PolarHBondContact N-OG 3.44Å; V344-S371 PolarHBondContact O-N 3.31Å; V344-S371 PolarHBondContact O-OG 3.48Å; S371-T373 PolarHBondContact O-N 3.29Å; S371-A374 PolarHBondContact O-N 3.08Å; S371-A374 VanDerWaalsContact OG-CB 3.23Å; S371-A374 WeakPolarHBondContact OG-CB 3.19Å; S371-A374 PolarHBondContact OG-N 2.93Å; S371-V375 PolarHBondContact O-N 2.72Å; S371-V375 VanDerWaalsContact O-N 3.09Å
372	R	98.7	Very high	97.9	Very high	51 Å²	51	23.5 Å²	23.5	19%	0.192	16%	0.155	C	C	.	.	H	α-helix	trans	-56.8	-35.5	171.4	-176.4	171.1	-68.3	-82.4	-5.8	112.6	F306 L307 P312 V314 D315 V375 S376	F306-R372 HydrophobicContact CE1-CB 3.94Å; F306-R372 HydrophobicContact CE1-CG 4.15Å; F306-R372 HydrophobicContact CZ-CB 4.28Å; F306-R372 PolarHBondContact O-NH1 2.94Å; F306-R372 PolarHBondContact O-NH2 3.42Å; L307-R372 HydrophobicContact CD2-CG 3.88Å; P312-R372 PolarHBondContact O-NH2 3.44Å; V314-R372 PolarHBondContact O-NE 3.18Å; V314-R372 PolarHBondContact O-NH2 3.01Å; V314-R372 VanDerWaalsContact O-NH2 3.16Å; D315-R372 PolarHBondContact O-N 3.47Å; R372-V375 PolarHBondContact O-N 3.03Å; R372-S376 WeakPolarHBondContact O-CB 3.3Å; R372-S376 PolarHBondContact O-N 3.41Å
373	T	98.6	Very high	97.8	Very high	45 Å²	45	24.4 Å²	24.4	28%	0.276	16%	0.161	S	C	.	.	H	α-helix	trans	-60	-47.4	173	-62.2	0	0	0	0	111.8	K341 A343 S371 V375 S376 I377	K341-T373 WeakPolarHBondContact O-CG2 3.43Å; K341-T373 PolarHBondContact O-OG1 2.9Å; A343-T373 HydrophobicContact CB-CG2 4.31Å; S371-T373 PolarHBondContact O-N 3.29Å; T373-V375 PolarHBondContact O-N 3.11Å; T373-S376 PolarHBondContact O-N 3.32Å; T373-I377 HydrophobicContact CG2-CD1 3.69Å; T373-I377 HydrophobicContact CG2-CG1 4.48Å; T373-I377 WeakPolarHBondContact O-CG1 3.13Å; T373-I377 PolarHBondContact O-N 3.06Å
374	A	98.7	Very high	97.7	Very high	0 Å²	0	28 Å²	28	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-61	-44	178.2	0	0	0	0	0	112.2	A343 V344 S371 S376 I377 L378 F400	A343-A374 HydrophobicContact CB-CB 4.24Å; V344-A374 WeakPolarHBondContact O-CB 3.47Å; S371-A374 PolarHBondContact O-N 3.08Å; S371-A374 VanDerWaalsContact OG-CB 3.23Å; S371-A374 WeakPolarHBondContact OG-CB 3.19Å; S371-A374 PolarHBondContact OG-N 2.93Å; A374-S376 VanDerWaalsContact C-N 3.34Å; A374-S376 PolarHBondContact O-N 3.39Å; A374-I377 PolarHBondContact O-N 3.21Å; A374-L378 VanDerWaalsContact O-CB 3.3Å; A374-L378 WeakPolarHBondContact O-CB 3.46Å; A374-L378 PolarHBondContact O-N 3.14Å; A374-F400 HydrophobicContact CB-CE1 4.17Å; A374-F400 HydrophobicContact CB-CZ 4.33Å
375	V	98.8	Very high	97.7	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-62.7	-42.2	177.4	-177.6	0	0	0	0	111.4	L303 F306 L307 L317 L370 S371 R372 T373 L378 L379	L303-V375 HydrophobicContact CB-CG1 3.89Å; L303-V375 HydrophobicContact CD2-CG1 3.94Å; L303-V375 HydrophobicContact CD2-CG2 4.03Å; L303-V375 HydrophobicContact CG-CG1 4.39Å; F306-V375 HydrophobicContact CD1-CB 4.26Å; F306-V375 HydrophobicContact CD1-CG1 4.21Å; F306-V375 HydrophobicContact CD1-CG2 4.04Å; F306-V375 HydrophobicContact CE1-CG2 4.22Å; L307-V375 HydrophobicContact CD1-CG1 4.09Å; L307-V375 HydrophobicContact CD2-CB 4.3Å; L307-V375 HydrophobicContact CD2-CG1 4.08Å; L307-V375 HydrophobicContact CG-CG1 3.87Å; L317-V375 HydrophobicContact CD2-CG2 4.07Å; L370-V375 HydrophobicContact CB-CG2 3.71Å; L370-V375 HydrophobicContact CD1-CG2 3.98Å; S371-V375 PolarHBondContact O-N 2.72Å; S371-V375 VanDerWaalsContact O-N 3.09Å; R372-V375 PolarHBondContact O-N 3.03Å; T373-V375 PolarHBondContact O-N 3.11Å; V375-L378 PolarHBondContact O-N 3.09Å; V375-L379 HydrophobicContact CG1-CD1 4.04Å; V375-L379 HydrophobicContact CG1-CG 4.47Å; V375-L379 WeakPolarHBondContact O-CG 3.49Å; V375-L379 PolarHBondContact O-N 3.27Å
376	S	98.6	Very high	97.6	Very high	54 Å²	54	36.2 Å²	36.2	38%	0.378	22%	0.221	S	C	.	.	H	α-helix	trans	-61.9	-48.6	177	-169.2	0	0	0	0	112	R372 T373 A374 L379 S380	R372-S376 WeakPolarHBondContact O-CB 3.3Å; R372-S376 PolarHBondContact O-N 3.41Å; T373-S376 PolarHBondContact O-N 3.32Å; A374-S376 VanDerWaalsContact C-N 3.34Å; A374-S376 PolarHBondContact O-N 3.39Å; S376-L379 PolarHBondContact O-N 3.12Å; S376-S380 WeakPolarHBondContact O-CB 3.47Å; S376-S380 PolarHBondContact O-N 3.05Å; S376-S380 PolarHBondContact O-OG 3.36Å; S376-S380 VanDerWaalsContact O-OG 3.11Å
377	I	98.5	Very high	97.5	Very high	70 Å²	70	38.1 Å²	38.1	36%	0.359	23%	0.234	S	C	.	.	H	α-helix	trans	-62.9	-44.2	179.4	-71	164.5	0	0	0	110.6	A343 T373 A374 L379 S380 S381 I403 V405	A343-I377 HydrophobicContact CB-CD1 3.84Å; T373-I377 HydrophobicContact CG2-CD1 3.69Å; T373-I377 HydrophobicContact CG2-CG1 4.48Å; T373-I377 WeakPolarHBondContact O-CG1 3.13Å; T373-I377 PolarHBondContact O-N 3.06Å; A374-I377 PolarHBondContact O-N 3.21Å; I377-L379 PolarHBondContact O-N 3.48Å; I377-S380 PolarHBondContact O-N 3.11Å; I377-S381 WeakPolarHBondContact O-CB 3.48Å; I377-S381 PolarHBondContact O-N 3.02Å; I377-I403 HydrophobicContact CG2-CD1 3.86Å; I377-I403 HydrophobicContact CG2-CG1 4.43Å; I377-V405 HydrophobicContact CG2-CG2 4.38Å
378	L	98.6	Very high	97.3	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-59.4	-50	179.3	-176.9	67.5	0	0	0	111.4	L303 A374 V375 S380 S381 C383 L396 C399 F400 I403	L303-L378 HydrophobicContact CD1-CD2 3.67Å; A374-L378 VanDerWaalsContact O-CB 3.3Å; A374-L378 WeakPolarHBondContact O-CB 3.46Å; A374-L378 PolarHBondContact O-N 3.14Å; V375-L378 PolarHBondContact O-N 3.09Å; L378-S380 VanDerWaalsContact C-N 3.35Å; L378-S380 PolarHBondContact O-N 3.21Å; L378-S381 PolarHBondContact O-N 2.97Å; L378-S381 PolarHBondContact O-OG 3.49Å; L378-C383 HydrophobicContact CD1-CB 4.06Å; L378-L396 HydrophobicContact CD2-CD2 4.11Å; L378-L396 HydrophobicContact CD2-CG 4.19Å; L378-C399 HydrophobicContact CD1-CB 3.48Å; L378-C399 VanDerWaalsContact CD1-CB 3.48Å; L378-F400 HydrophobicContact CB-CE1 3.92Å; L378-F400 HydrophobicContact CB-CZ 4.34Å; L378-F400 HydrophobicContact CD1-CD1 4.21Å; L378-F400 HydrophobicContact CD1-CE1 4.15Å; L378-F400 HydrophobicContact CD2-CE1 4.19Å; L378-F400 HydrophobicContact CD2-CE2 4.32Å; L378-F400 HydrophobicContact CD2-CZ 3.85Å; L378-F400 HydrophobicContact CG-CE1 4.32Å; L378-F400 HydrophobicContact CG-CZ 4.47Å; L378-I403 HydrophobicContact CD1-CD1 4.08Å
379	L	98.3	Very high	97.2	Very high	44 Å²	44	45 Å²	45	23%	0.23	27%	0.271	C	S	.	.	H	α-helix	trans	-70.6	-28.3	-178.4	-71.8	178.7	0	0	0	113.3	F300 L303 R304 L307 V375 S376 I377	F300-L379 HydrophobicContact CD1-CD2 3.98Å; F300-L379 HydrophobicContact CE1-CD2 4.32Å; L303-L379 HydrophobicContact CB-CD1 3.99Å; L303-L379 HydrophobicContact CB-CD2 4.22Å; L303-L379 HydrophobicContact CB-CG 4.31Å; R304-L379 HydrophobicContact CG-CD1 4.01Å; R304-L379 HydrophobicContact CG-CD2 4.13Å; L307-L379 HydrophobicContact CD1-CD1 3.69Å; L307-L379 HydrophobicContact CG-CD1 4.25Å; V375-L379 HydrophobicContact CG1-CD1 4.04Å; V375-L379 HydrophobicContact CG1-CG 4.47Å; V375-L379 WeakPolarHBondContact O-CG 3.49Å; V375-L379 PolarHBondContact O-N 3.27Å; S376-L379 PolarHBondContact O-N 3.12Å; I377-L379 PolarHBondContact O-N 3.48Å
380	S	98	Very high	97.1	Very high	101 Å²	101	45 Å²	45	71%	0.706	27%	0.272	S	S	*	.	H	α-helix	trans	-82.2	-11.1	175.3	-62.6	0	0	0	0	114	S376 I377 L378 G382	S376-S380 WeakPolarHBondContact O-CB 3.47Å; S376-S380 PolarHBondContact O-N 3.05Å; S376-S380 PolarHBondContact O-OG 3.36Å; S376-S380 VanDerWaalsContact O-OG 3.11Å; I377-S380 PolarHBondContact O-N 3.11Å; L378-S380 VanDerWaalsContact C-N 3.35Å; L378-S380 PolarHBondContact O-N 3.21Å; S380-G382 VanDerWaalsContact C-N 3.31Å; S380-G382 PolarHBondContact O-N 3.4Å
381	S	97.6	Very high	97	Very high	52 Å²	52	47 Å²	47	36%	0.364	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-11	-176.8	69.8	0	0	0	0	115	I377 L378 C383	I377-S381 WeakPolarHBondContact O-CB 3.48Å; I377-S381 PolarHBondContact O-N 3.02Å; L378-S381 PolarHBondContact O-N 2.97Å; L378-S381 PolarHBondContact O-OG 3.49Å; S381-C383 VanDerWaalsContact C-N 3.27Å; S381-C383 WeakPolarHBondContact OG-CB 3.3Å; S381-C383 PolarHBondContact OG-N 2.98Å
382	G	94.4	Very high	96.9	Very high	64 Å²	64	47.5 Å²	47.5	66%	0.66	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.3	1.9	-170.6	0	0	0	0	0	114	S380 S384	S380-G382 VanDerWaalsContact C-N 3.31Å; S380-G382 PolarHBondContact O-N 3.4Å; G382-S384 PolarHBondContact O-N 3.33Å
383	C	95.8	Very high	96.9	Very high	23 Å²	23	46.3 Å²	46.3	16%	0.155	28%	0.284	C	S	.	.			trans	-56.5	137.7	169.3	170.5	0	0	0	0	111.4	F300 L378 S381 C399	F300-C383 VanDerWaalsContact CZ-SG 3.52Å; L378-C383 HydrophobicContact CD1-CB 4.06Å; S381-C383 VanDerWaalsContact C-N 3.27Å; S381-C383 WeakPolarHBondContact OG-CB 3.3Å; S381-C383 PolarHBondContact OG-N 2.98Å; C383-C399 HydrophobicContact CB-CB 3.64Å; C383-C399 WeakPolarHBondContact CB-SG 3.43Å; C383-C399 WeakPolarHBondContact SG-CB 3.37Å; C383-C399 CovalentContact SG-SG 2Å; C383-C399 PolarHBondContact SG-SG 3.07Å
384	S	94.4	Very high	96.8	Very high	77 Å²	77	45.5 Å²	45.5	54%	0.538	28%	0.278	S	S	.	.			trans	-152.3	161.2	177.2	53.7	0	0	0	0	111.4	G382	G382-S384 PolarHBondContact O-N 3.33Å
385	C	96.3	Very high	96.8	Very high	26 Å²	26	45.9 Å²	45.9	18%	0.176	28%	0.28	C	S	.	.			trans	-64.9	134.5	170.1	-57.3	0	0	0	0	110.4	C296 F300 S387	C296-C385 HydrophobicContact CB-CB 3.83Å; C296-C385 WeakPolarHBondContact CB-SG 3.38Å; C296-C385 PolarHBondContact O-SG 3.48Å; C296-C385 VanDerWaalsContact SG-CA 3.54Å; C296-C385 WeakPolarHBondContact SG-CB 3.46Å; C296-C385 CovalentContact SG-SG 2.03Å; C296-C385 PolarHBondContact SG-SG 3.07Å; F300-C385 WeakPolarHBondContact CD2-SG 3.24Å; C385-S387 VanDerWaalsContact C-N 3.27Å; C385-S387 WeakPolarHBondContact CB-O 3.29Å
386	Y	93.9	Very high	96.7	Very high	149 Å²	149	46.1 Å²	46.1	58%	0.584	28%	0.281	S	S	*	.	S	Bend	trans	-75.3	-21.5	169.1	57.9	-100.7	0	0	0	112.2	A390 P391 V395	Y386-A390 HydrophobicContact CD1-CB 4.36Å; Y386-A390 HydrophobicContact CD2-CB 4.11Å; Y386-A390 HydrophobicContact CE1-CB 3.8Å; Y386-A390 HydrophobicContact CE2-CB 3.5Å; Y386-P391 WeakPolarHBondContact OH-CD 3.45Å; Y386-V395 HydrophobicContact CD1-CG2 4.02Å; Y386-V395 HydrophobicContact CE1-CG2 3.54Å
387	S	95.3	Very high	96.7	Very high	39 Å²	39	43.6 Å²	43.6	27%	0.273	26%	0.264	S	S	.	.	S	Bend	trans	-155.6	152.8	166.3	63.9	0	0	0	0	109.4	C385 D389 A390	C385-S387 VanDerWaalsContact C-N 3.27Å; C385-S387 WeakPolarHBondContact CB-O 3.29Å; S387-D389 WeakPolarHBondContact CB-OD1 3.4Å; S387-D389 PolarHBondContact O-N 3.21Å; S387-D389 PolarHBondContact OG-OD1 2.9Å; S387-A390 VanDerWaalsContact O-CB 3.24Å; S387-A390 WeakPolarHBondContact O-CB 3.27Å; S387-A390 PolarHBondContact O-N 2.95Å; S387-A390 VanDerWaalsContact O-N 3.15Å; S387-A390 PolarHBondContact OG-N 3.07Å
388	D	94.6	Very high	96.6	Very high	88 Å²	88	46.1 Å²	46.1	47%	0.471	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-27.9	-179.4	-73.6	-26.2	0	0	0	112.8	C296 G297	C296-D388 PolarHBondContact N-O 3.44Å; C296-D388 VanDerWaalsContact N-O 3.12Å; G297-D388 WeakPolarHBondContact CA-OD1 3.24Å; G297-D388 PolarHBondContact N-O 3.23Å
389	D	95.4	Very high	96.6	Very high	60 Å²	60	46.9 Å²	46.9	32%	0.321	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90	6.1	179.3	73.9	-29.8	0	0	0	114.1	T291 G294 S387	T291-D389 HydrophobicContact CG2-CB 3.72Å; G294-D389 CarbonylContact C-O 3.55Å; G294-D389 VanDerWaalsContact CA-O 3.24Å; G294-D389 WeakPolarHBondContact CA-O 3.4Å; G294-D389 PolarHBondContact N-O 3.08Å; G294-D389 VanDerWaalsContact N-O 3.1Å; G294-D389 CarbonylContact O-C 3.58Å; G294-D389 WeakPolarHBondContact O-CA 3.08Å; S387-D389 WeakPolarHBondContact CB-OD1 3.4Å; S387-D389 PolarHBondContact O-N 3.21Å; S387-D389 PolarHBondContact OG-OD1 2.9Å
390	A	96.8	Very high	96.6	Very high	2 Å²	2	44.8 Å²	44.8	2%	0.017	26%	0.263	C	S	.	.	S	Bend	trans	-62.5	149.7	174	0	0	0	0	0	111.5	G294 H295 C296 Y386 S387 D392 V395	G294-A390 CarbonylContact C-O 3.28Å; G294-A390 VanDerWaalsContact C-O 3.28Å; G294-A390 WeakPolarHBondContact CA-O 3.39Å; H295-A390 PolarHBondContact N-O 2.73Å; H295-A390 VanDerWaalsContact N-O 3.15Å; C296-A390 HydrophobicContact CB-CB 3.85Å; C296-A390 VanDerWaalsContact CB-O 3.31Å; C296-A390 WeakPolarHBondContact CB-O 3.49Å; C296-A390 PolarHBondContact N-O 2.73Å; C296-A390 VanDerWaalsContact N-O 3.09Å; Y386-A390 HydrophobicContact CD1-CB 4.36Å; Y386-A390 HydrophobicContact CD2-CB 4.11Å; Y386-A390 HydrophobicContact CE1-CB 3.8Å; Y386-A390 HydrophobicContact CE2-CB 3.5Å; S387-A390 VanDerWaalsContact O-CB 3.24Å; S387-A390 WeakPolarHBondContact O-CB 3.27Å; S387-A390 PolarHBondContact O-N 2.95Å; S387-A390 VanDerWaalsContact O-N 3.15Å; S387-A390 PolarHBondContact OG-N 3.07Å; A390-D392 PolarHBondContact O-N 3.4Å; A390-D392 VanDerWaalsContact O-N 3.1Å; A390-V395 HydrophobicContact CB-CG2 3.89Å
391	P	96.6	Very high	96.5	Very high	42 Å²	42	42.4 Å²	42.4	27%	0.273	24%	0.244	S	C	.	.			trans	-58.8	115.1	169.9	-19.6	32.2	0	0	0	109.4	Y386 M394 V395	Y386-P391 WeakPolarHBondContact OH-CD 3.45Å; P391-M394 HydrophobicContact CB-CB 4.21Å; P391-M394 HydrophobicContact CB-CG 4.12Å; P391-M394 HydrophobicContact CB-SD 4.17Å; P391-M394 HydrophobicContact CG-SD 4.37Å; P391-V395 WeakPolarHBondContact O-CG2 3.41Å; P391-V395 PolarHBondContact O-N 3.19Å; P391-V395 VanDerWaalsContact O-N 3.15Å
392	D	97.1	Very high	96.4	Very high	11 Å²	11	44 Å²	44	6%	0.059	26%	0.26	C	S	.	.	H	α-helix	trans	-66.3	-49.2	-171	53.5	-32.3	0	0	0	111.2	K246 C296 T299 A390 M394 V395 L396	K246-D392 IonicContact NZ-OD1 3.51Å; K246-D392 IonicContact NZ-OD2 3.07Å; K246-D392 PolarHBondContact NZ-OD2 3.15Å; C296-D392 HydrophobicContact CB-CB 4.32Å; T299-D392 HydrophobicContact CG2-CB 4.27Å; T299-D392 PolarHBondContact OG1-OD2 3.35Å; A390-D392 PolarHBondContact O-N 3.4Å; A390-D392 VanDerWaalsContact O-N 3.1Å; D392-M394 PolarHBondContact O-N 2.77Å; D392-V395 PolarHBondContact O-N 3.04Å; D392-V395 VanDerWaalsContact O-N 3.16Å; D392-L396 HydrophobicContact CB-CD1 4.33Å; D392-L396 WeakPolarHBondContact O-CD1 3.44Å; D392-L396 PolarHBondContact O-N 3.02Å
393	D	97.7	Very high	96.5	Very high	25 Å²	25	43.5 Å²	43.5	13%	0.134	24%	0.242	C	C	.	.	H	α-helix	trans	-53	-48.9	177.5	55	0.8	0	0	0	113.3	Y361 T362 G364 M368 V395 L396 G397	Y361-D393 WeakPolarHBondContact CB-O 3.33Å; Y361-D393 HydrophobicContact CD2-CB 3.95Å; T362-D393 WeakPolarHBondContact O-CB 3.48Å; G364-D393 PolarHBondContact N-OD2 2.81Å; M368-D393 HydrophobicContact SD-CB 4.47Å; D393-V395 PolarHBondContact O-N 2.94Å; D393-L396 PolarHBondContact O-N 2.78Å; D393-G397 PolarHBondContact O-N 2.85Å
394	M	97.4	Very high	96.5	Very high	29 Å²	29	45.6 Å²	45.6	14%	0.143	27%	0.267	C	S	.	.	H	α-helix	trans	-64.6	-40	178.1	-61.4	-173.8	75.1	0	0	112.3	F186 Y352 Y359 Y361 P391 D392 G397 R398	F186-M394 HydrophobicContact CE1-CE 3.8Å; F186-M394 HydrophobicContact CE1-SD 4.18Å; F186-M394 HydrophobicContact CZ-CE 4.22Å; Y352-M394 HydrophobicContact CD1-CE 4.24Å; Y352-M394 HydrophobicContact CD2-CE 3.56Å; Y352-M394 HydrophobicContact CE2-CE 4.1Å; Y352-M394 HydrophobicContact CG-CE 3.64Å; Y359-M394 HydrophobicContact CE2-CB 4.37Å; Y359-M394 WeakPolarHBondContact CE2-O 3.25Å; Y361-M394 HydrophobicContact CD1-CG 4.33Å; Y361-M394 HydrophobicContact CD2-CG 4.27Å; Y361-M394 HydrophobicContact CE1-CG 4.18Å; Y361-M394 HydrophobicContact CE2-CG 4.09Å; Y361-M394 HydrophobicContact CG-CG 4.37Å; P391-M394 HydrophobicContact CB-CB 4.21Å; P391-M394 HydrophobicContact CB-CG 4.12Å; P391-M394 HydrophobicContact CB-SD 4.17Å; P391-M394 HydrophobicContact CG-SD 4.37Å; D392-M394 PolarHBondContact O-N 2.77Å; M394-G397 PolarHBondContact O-N 3.29Å; M394-R398 WeakPolarHBondContact O-CB 3.49Å; M394-R398 PolarHBondContact O-N 3.33Å
395	V	98	Very high	96.6	Very high	7 Å²	7	42.4 Å²	42.4	4%	0.042	25%	0.245	C	C	.	.	H	α-helix	trans	-64.3	-45.4	175.7	172.9	0	0	0	0	110.8	F300 Y386 A390 P391 D392 D393 G397 R398 C399	F300-V395 HydrophobicContact CE2-CG1 4.11Å; F300-V395 HydrophobicContact CZ-CG1 4.47Å; Y386-V395 HydrophobicContact CD1-CG2 4.02Å; Y386-V395 HydrophobicContact CE1-CG2 3.54Å; A390-V395 HydrophobicContact CB-CG2 3.89Å; P391-V395 WeakPolarHBondContact O-CG2 3.41Å; P391-V395 PolarHBondContact O-N 3.19Å; P391-V395 VanDerWaalsContact O-N 3.15Å; D392-V395 PolarHBondContact O-N 3.04Å; D392-V395 VanDerWaalsContact O-N 3.16Å; D393-V395 PolarHBondContact O-N 2.94Å; V395-G397 PolarHBondContact O-N 2.66Å; V395-R398 PolarHBondContact O-N 3.16Å; V395-C399 PolarHBondContact O-N 3.26Å; V395-C399 PolarHBondContact O-SG 3.48Å
396	L	98.3	Very high	96.6	Very high	5 Å²	5	42.5 Å²	42.5	3%	0.026	25%	0.245	C	C	.	.	H	α-helix	trans	-59.4	-46.2	175.4	-86.3	91.3	0	0	0	111.1	T299 F300 L303 L370 L378 D392 D393 R398 C399 F400	T299-L396 HydrophobicContact CG2-CD1 3.74Å; F300-L396 HydrophobicContact CE2-CD1 4.14Å; L303-L396 HydrophobicContact CD1-CD2 4.41Å; L370-L396 HydrophobicContact CD1-CD2 4.07Å; L378-L396 HydrophobicContact CD2-CD2 4.11Å; L378-L396 HydrophobicContact CD2-CG 4.19Å; D392-L396 HydrophobicContact CB-CD1 4.33Å; D392-L396 WeakPolarHBondContact O-CD1 3.44Å; D392-L396 PolarHBondContact O-N 3.02Å; D393-L396 PolarHBondContact O-N 2.78Å; L396-R398 PolarHBondContact O-N 2.88Å; L396-C399 PolarHBondContact O-N 2.7Å; L396-F400 HydrophobicContact CB-CD2 4.39Å; L396-F400 HydrophobicContact CB-CE2 4.32Å; L396-F400 HydrophobicContact CD2-CE2 4.14Å; L396-F400 WeakPolarHBondContact O-CB 2.95Å; L396-F400 VanDerWaalsContact O-CD2 3.25Å; L396-F400 WeakPolarHBondContact O-CD2 3.04Å; L396-F400 PolarHBondContact O-N 2.82Å
397	G	97.6	Very high	96.7	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.01	22%	0.218	C	C	.	.	H	α-helix	trans	-62	-43	179.1	0	0	0	0	0	113.8	S360 D393 M394 V395 C399 F400 T401	S360-G397 CarbonylContact O-C 3.6Å; S360-G397 WeakPolarHBondContact O-CA 3.48Å; D393-G397 PolarHBondContact O-N 2.85Å; M394-G397 PolarHBondContact O-N 3.29Å; V395-G397 PolarHBondContact O-N 2.66Å; G397-C399 VanDerWaalsContact C-N 3.32Å; G397-C399 PolarHBondContact O-N 3.01Å; G397-F400 PolarHBondContact O-N 3.38Å; G397-T401 WeakPolarHBondContact O-CB 3.39Å; G397-T401 PolarHBondContact O-N 3.49Å; G397-T401 PolarHBondContact O-OG1 2.87Å
398	R	97	Very high	96.8	Very high	123 Å²	123	33.9 Å²	33.9	46%	0.464	21%	0.206	S	C	.	.	H	α-helix	trans	-59	-45.8	173.4	-176.8	-175	-63.7	-175.1	1.3	111	Y359 M394 V395 L396 T401 A402	Y359-R398 HydrophobicContact CD1-CB 4.34Å; Y359-R398 HydrophobicContact CD1-CG 4.42Å; Y359-R398 HydrophobicContact CD2-CB 3.98Å; Y359-R398 HydrophobicContact CE1-CB 4.22Å; Y359-R398 HydrophobicContact CE1-CG 4.36Å; Y359-R398 HydrophobicContact CE2-CB 3.82Å; Y359-R398 HydrophobicContact CG-CB 4.24Å; Y359-R398 PolarHBondContact OH-NH2 3.45Å; M394-R398 WeakPolarHBondContact O-CB 3.49Å; M394-R398 PolarHBondContact O-N 3.33Å; V395-R398 PolarHBondContact O-N 3.16Å; L396-R398 PolarHBondContact O-N 2.88Å; R398-T401 PolarHBondContact O-N 3.46Å; R398-A402 WeakPolarHBondContact O-CB 3.3Å; R398-A402 PolarHBondContact O-N 3.28Å
399	C	98.1	Very high	97	Very high	16 Å²	16	32 Å²	32	11%	0.108	19%	0.194	C	C	.	.	H	α-helix	trans	-68.8	-43.2	-179	-75.4	0	0	0	0	113.1	L378 C383 V395 L396 G397 T401 A402 I403	L378-C399 HydrophobicContact CD1-CB 3.48Å; L378-C399 VanDerWaalsContact CD1-CB 3.48Å; C383-C399 HydrophobicContact CB-CB 3.64Å; C383-C399 WeakPolarHBondContact CB-SG 3.43Å; C383-C399 WeakPolarHBondContact SG-CB 3.37Å; C383-C399 CovalentContact SG-SG 2Å; C383-C399 PolarHBondContact SG-SG 3.07Å; V395-C399 PolarHBondContact O-N 3.26Å; V395-C399 PolarHBondContact O-SG 3.48Å; L396-C399 PolarHBondContact O-N 2.7Å; G397-C399 VanDerWaalsContact C-N 3.32Å; G397-C399 PolarHBondContact O-N 3.01Å; C399-T401 VanDerWaalsContact C-N 3.28Å; C399-T401 PolarHBondContact O-N 3.22Å; C399-A402 PolarHBondContact O-N 3.28Å; C399-I403 VanDerWaalsContact O-CG1 3.3Å; C399-I403 WeakPolarHBondContact O-CG1 3.19Å; C399-I403 WeakPolarHBondContact O-CG2 3.37Å; C399-I403 PolarHBondContact O-N 2.98Å
400	F	97.9	Very high	97	Very high	1 Å²	1	29.3 Å²	29.3	0%	0.004	18%	0.18	C	C	.	.	H	α-helix	trans	-59.7	-41.4	174.4	-78.3	-48.7	0	0	0	111.6	L370 A374 L378 L396 G397 I403 G404 V405 I407	L370-F400 HydrophobicContact CD1-CZ 4.49Å; L370-F400 HydrophobicContact CD2-CE2 3.82Å; L370-F400 HydrophobicContact CD2-CZ 3.82Å; A374-F400 HydrophobicContact CB-CE1 4.17Å; A374-F400 HydrophobicContact CB-CZ 4.33Å; L378-F400 HydrophobicContact CB-CE1 3.92Å; L378-F400 HydrophobicContact CB-CZ 4.34Å; L378-F400 HydrophobicContact CD1-CD1 4.21Å; L378-F400 HydrophobicContact CD1-CE1 4.15Å; L378-F400 HydrophobicContact CD2-CE1 4.19Å; L378-F400 HydrophobicContact CD2-CE2 4.32Å; L378-F400 HydrophobicContact CD2-CZ 3.85Å; L378-F400 HydrophobicContact CG-CE1 4.32Å; L378-F400 HydrophobicContact CG-CZ 4.47Å; L396-F400 HydrophobicContact CB-CD2 4.39Å; L396-F400 HydrophobicContact CB-CE2 4.32Å; L396-F400 HydrophobicContact CD2-CE2 4.14Å; L396-F400 WeakPolarHBondContact O-CB 2.95Å; L396-F400 VanDerWaalsContact O-CD2 3.25Å; L396-F400 WeakPolarHBondContact O-CD2 3.04Å; L396-F400 PolarHBondContact O-N 2.82Å; G397-F400 PolarHBondContact O-N 3.38Å; F400-I403 HydrophobicContact CD1-CD1 4.05Å; F400-I403 WeakPolarHBondContact O-CG1 2.97Å; F400-I403 PolarHBondContact O-N 3.45Å; F400-G404 PolarHBondContact O-N 3.13Å; F400-G404 VanDerWaalsContact O-N 3.11Å; F400-V405 CarbonylContact C-O 3.49Å; F400-V405 HydrophobicContact CB-CB 4.2Å; F400-V405 HydrophobicContact CB-CG1 4.43Å; F400-V405 HydrophobicContact CD1-CB 3.7Å; F400-V405 HydrophobicContact CD1-CG1 3.61Å; F400-V405 HydrophobicContact CD1-CG2 4.29Å; F400-V405 HydrophobicContact CE1-CG1 4.11Å; F400-V405 HydrophobicContact CG-CB 4.32Å; F400-V405 HydrophobicContact CG-CG1 4.2Å; F400-V405 PolarHBondContact O-N 3.3Å; F400-I407 HydrophobicContact CB-CD1 3.91Å; F400-I407 HydrophobicContact CD2-CD1 3.79Å; F400-I407 HydrophobicContact CG-CD1 4.21Å
401	T	95.5	Very high	96.8	Very high	50 Å²	50	31.1 Å²	31.1	31%	0.307	19%	0.192	S	C	.	.	H	α-helix	trans	-60.2	-47.2	173.5	-59.9	0	0	0	0	111.6	Y359 G397 R398 C399 I403 G404	Y359-T401 WeakPolarHBondContact CB-OG1 3.27Å; G397-T401 WeakPolarHBondContact O-CB 3.39Å; G397-T401 PolarHBondContact O-N 3.49Å; G397-T401 PolarHBondContact O-OG1 2.87Å; R398-T401 PolarHBondContact O-N 3.46Å; C399-T401 VanDerWaalsContact C-N 3.28Å; C399-T401 PolarHBondContact O-N 3.22Å; T401-I403 PolarHBondContact O-N 3.25Å; T401-G404 PolarHBondContact O-N 2.68Å
402	A	96.2	Very high	96.8	Very high	85 Å²	85	29.3 Å²	29.3	70%	0.702	18%	0.18	S	C	*	.	H	α-helix	trans	-63.2	-28.5	-179.5	0	0	0	0	0	113.8	R398 C399	R398-A402 WeakPolarHBondContact O-CB 3.3Å; R398-A402 PolarHBondContact O-N 3.28Å; C399-A402 PolarHBondContact O-N 3.28Å
403	I	96.5	Very high	96.8	Very high	55 Å²	55	28.9 Å²	28.9	28%	0.282	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.1	8	-179.3	72.1	-167.2	0	0	0	113.1	I377 L378 C399 F400 T401 V405	I377-I403 HydrophobicContact CG2-CD1 3.86Å; I377-I403 HydrophobicContact CG2-CG1 4.43Å; L378-I403 HydrophobicContact CD1-CD1 4.08Å; C399-I403 VanDerWaalsContact O-CG1 3.3Å; C399-I403 WeakPolarHBondContact O-CG1 3.19Å; C399-I403 WeakPolarHBondContact O-CG2 3.37Å; C399-I403 PolarHBondContact O-N 2.98Å; F400-I403 HydrophobicContact CD1-CD1 4.05Å; F400-I403 WeakPolarHBondContact O-CG1 2.97Å; F400-I403 PolarHBondContact O-N 3.45Å; T401-I403 PolarHBondContact O-N 3.25Å; I403-V405 HydrophobicContact CD1-CG2 4.28Å; I403-V405 HydrophobicContact CG1-CB 4.28Å; I403-V405 HydrophobicContact CG1-CG2 3.92Å; I403-V405 PolarHBondContact O-N 3.01Å
404	G	95.5	Very high	96.7	Very high	66 Å²	66	28 Å²	28	68%	0.68	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.1	23.1	176	0	0	0	0	0	115	F400 T401	F400-G404 PolarHBondContact O-N 3.13Å; F400-G404 VanDerWaalsContact O-N 3.11Å; T401-G404 PolarHBondContact O-N 2.68Å
405	V	96.8	Very high	96.6	Very high	11 Å²	11	28.6 Å²	28.6	7%	0.067	18%	0.175	C	C	.	.	P	Polyproline II helix	trans	-94.5	117	172.6	172.7	0	0	0	0	108.6	A343 I377 F400 I403	A343-V405 HydrophobicContact CB-CG1 4.01Å; A343-V405 HydrophobicContact CB-CG2 3.8Å; I377-V405 HydrophobicContact CG2-CG2 4.38Å; F400-V405 CarbonylContact C-O 3.49Å; F400-V405 HydrophobicContact CB-CB 4.2Å; F400-V405 HydrophobicContact CB-CG1 4.43Å; F400-V405 HydrophobicContact CD1-CB 3.7Å; F400-V405 HydrophobicContact CD1-CG1 3.61Å; F400-V405 HydrophobicContact CD1-CG2 4.29Å; F400-V405 HydrophobicContact CE1-CG1 4.11Å; F400-V405 HydrophobicContact CG-CB 4.32Å; F400-V405 HydrophobicContact CG-CG1 4.2Å; F400-V405 PolarHBondContact O-N 3.3Å; I403-V405 HydrophobicContact CD1-CG2 4.28Å; I403-V405 HydrophobicContact CG1-CB 4.28Å; I403-V405 HydrophobicContact CG1-CG2 3.92Å; I403-V405 PolarHBondContact O-N 3.01Å
406	P	95.4	Very high	96.4	Very high	28 Å²	28	28.3 Å²	28.3	18%	0.182	17%	0.173	C	C	.	.	P	Polyproline II helix	trans	-72.9	144.2	-177.1	29.7	-34.9	0	0	0	111.7	K39 E78 T408	K39-P406 HydrophobicContact CB-CB 4.13Å; K39-P406 HydrophobicContact CB-CG 4.12Å; E78-P406 WeakPolarHBondContact OE2-CB 3.26Å; P406-T408 PolarHBondContact O-N 3.19Å
407	I	97.6	Very high	96.2	Very high	4 Å²	4	29.6 Å²	29.6	2%	0.021	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	116.4	168.2	-57.5	-56.6	0	0	0	108.7	R349 S360 T362 F400	R349-I407 HydrophobicContact CB-CG2 4.07Å; R349-I407 WeakPolarHBondContact CD-O 3.44Å; R349-I407 HydrophobicContact CG-CB 4.34Å; R349-I407 HydrophobicContact CG-CG2 3.7Å; R349-I407 PolarHBondContact NH1-O 2.75Å; S360-I407 WeakPolarHBondContact O-CG1 3.36Å; T362-I407 WeakPolarHBondContact OG1-CG2 3.34Å; F400-I407 HydrophobicContact CB-CD1 3.91Å; F400-I407 HydrophobicContact CD2-CD1 3.79Å; F400-I407 HydrophobicContact CG-CD1 4.21Å
408	T	97.7	Very high	95.9	Very high	2 Å²	2	29.6 Å²	29.6	1%	0.012	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	118	179.8	-52.8	0	0	0	0	109.8	N40 H43 Y338 S345 L346 G347 P406	N40-T408 HydrophobicContact CB-CG2 4.13Å; H43-T408 VanDerWaalsContact CD2-CG2 3.47Å; H43-T408 WeakPolarHBondContact CD2-CG2 3.43Å; Y338-T408 HydrophobicContact CE1-CG2 4Å; S345-T408 WeakPolarHBondContact O-CA 3.4Å; S345-T408 VanDerWaalsContact O-CB 3.27Å; S345-T408 WeakPolarHBondContact O-CB 3.45Å; S345-T408 PolarHBondContact O-N 3.41Å; S345-T408 PolarHBondContact O-OG1 3.49Å; L346-T408 WeakPolarHBondContact CA-O 3.27Å; L346-T408 HydrophobicContact CD1-CG2 3.83Å; G347-T408 PolarHBondContact N-O 3.35Å; P406-T408 PolarHBondContact O-N 3.19Å
409	H	97.4	Very high	95.5	Very high	49 Å²	49	28.3 Å²	28.3	23%	0.227	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	136.6	174.1	-176.8	44.9	0	0	0	110.8	Q38 G347 R349	Q38-H409 PolarHBondContact NE2-O 3.33Å; G347-H409 CarbonylContact O-C 3.49Å; G347-H409 WeakPolarHBondContact O-CA 3.41Å; R349-H409 HydrophobicContact CB-CB 3.67Å; R349-H409 PolarHBondContact N-ND1 2.76Å; R349-H409 VanDerWaalsContact N-ND1 3.15Å
410	S	96	Very high	95.2	Very high	4 Å²	4	28.1 Å²	28.1	3%	0.028	18%	0.179	C	C	.	.			trans	-124.7	127	160.8	170	0	0	0	0	109.9	G347 L412 F413	G347-S410 PolarHBondContact O-N 2.85Å; S410-L412 PolarHBondContact O-N 3.21Å; S410-L412 WeakPolarHBondContact OG-CB 3.36Å; S410-L412 PolarHBondContact OG-N 2.96Å; S410-F413 PolarHBondContact O-N 3.38Å
411	P	93.1	Very high	94.8	Very high	40 Å²	40	29.1 Å²	29.1	26%	0.26	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	6.7	176.9	31.3	-35	0	0	0	112.7	Y228 H414	Y228-P411 HydrophobicContact CD1-CB 4.15Å; Y228-P411 HydrophobicContact CD1-CG 3.16Å; Y228-P411 HydrophobicContact CD2-CG 4.44Å; Y228-P411 HydrophobicContact CE1-CB 4.17Å; Y228-P411 HydrophobicContact CE1-CG 3.5Å; Y228-P411 VanDerWaalsContact CE1-CG 3.5Å; Y228-P411 HydrophobicContact CG-CB 4.48Å; Y228-P411 HydrophobicContact CG-CG 3.72Å; P411-H414 PolarHBondContact O-NE2 2.95Å
412	L	95.3	Very high	94.2	Very high	4 Å²	4	26.9 Å²	26.9	2%	0.021	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-10.8	177	-55.2	-176.3	0	0	0	112.9	Y228 L229 L334 S410 H414 H430 V432 S433	Y228-L412 VanDerWaalsContact CB-CD2 3.47Å; Y228-L412 HydrophobicContact CG-CD2 4.48Å; L229-L412 HydrophobicContact CB-CD1 4.2Å; L229-L412 HydrophobicContact CD1-CD1 3.66Å; L334-L412 HydrophobicContact CD1-CD1 4.31Å; L334-L412 HydrophobicContact CD2-CD1 4.26Å; S410-L412 PolarHBondContact O-N 3.21Å; S410-L412 WeakPolarHBondContact OG-CB 3.36Å; S410-L412 PolarHBondContact OG-N 2.96Å; L412-H414 VanDerWaalsContact C-CE1 3.42Å; L412-H414 PolarHBondContact O-CE1 3.36Å; L412-H414 VanDerWaalsContact O-CE1 3.22Å; L412-H414 PolarHBondContact O-ND1 3.42Å; L412-H430 HydrophobicContact CD2-CB 3.77Å; L412-H430 WeakPolarHBondContact CD2-O 3.49Å; L412-V432 HydrophobicContact CB-CB 4Å; L412-V432 HydrophobicContact CB-CG2 3.73Å; L412-V432 HydrophobicContact CD1-CG2 4.04Å; L412-V432 WeakPolarHBondContact O-CA 3.41Å; L412-V432 WeakPolarHBondContact O-CB 3.34Å; L412-V432 PolarHBondContact O-N 2.7Å; L412-S433 PolarHBondContact O-N 3.07Å
413	F	97.3	Very high	92.8	Very high	2 Å²	2	25.5 Å²	25.5	1%	0.009	16%	0.164	C	C	.	.			trans	-102.3	142.4	177.7	-68.3	-105.5	0	0	0	109.9	L331 L334 L346 E348 G366 G367 V369 S410 V432 S433	L331-F413 HydrophobicContact CD1-CZ 3.82Å; L334-F413 HydrophobicContact CD2-CE2 3.59Å; L334-F413 HydrophobicContact CD2-CZ 4.28Å; L346-F413 HydrophobicContact CD2-CE2 4.44Å; L346-F413 HydrophobicContact CG-CE2 4.28Å; E348-F413 HydrophobicContact CB-CB 3.96Å; E348-F413 WeakPolarHBondContact CB-O 3.49Å; G366-F413 WeakPolarHBondContact O-CD1 3.11Å; G367-F413 WeakPolarHBondContact O-CD1 3.45Å; V369-F413 HydrophobicContact CG2-CE1 3.97Å; V369-F413 HydrophobicContact CG2-CZ 3.85Å; S410-F413 PolarHBondContact O-N 3.38Å; F413-V432 HydrophobicContact CD1-CG1 4.29Å; F413-V432 HydrophobicContact CE1-CG1 3.86Å; F413-V432 HydrophobicContact CE2-CB 4.44Å; F413-V432 HydrophobicContact CE2-CG1 4.16Å; F413-V432 HydrophobicContact CZ-CG1 3.8Å; F413-S433 WeakPolarHBondContact CA-OG 3Å; F413-S433 WeakPolarHBondContact CD1-OG 3.32Å
414	H	96.4	Very high	91.4	Very high	7 Å²	7	26 Å²	26	3%	0.032	17%	0.17	C	C	.	.			trans	-142	118.6	-172.3	-51.3	87.7	0	0	0	111.7	G366 P411 L412 A416 Y421 I426 S433 F434 H435	G366-H414 WeakPolarHBondContact CA-O 3.35Å; P411-H414 PolarHBondContact O-NE2 2.95Å; L412-H414 VanDerWaalsContact C-CE1 3.42Å; L412-H414 PolarHBondContact O-CE1 3.36Å; L412-H414 VanDerWaalsContact O-CE1 3.22Å; L412-H414 PolarHBondContact O-ND1 3.42Å; H414-A416 PolarHBondContact O-N 3.48Å; H414-Y421 WeakPolarHBondContact CA-OH 3.21Å; H414-Y421 HydrophobicContact CB-CE2 3.67Å; H414-Y421 WeakPolarHBondContact CB-OH 3.18Å; H414-Y421 AromaticContact CD2-CE1 3.97Å; H414-Y421 AromaticContact CD2-CE2 3.81Å; H414-Y421 AromaticContact CD2-CZ 3.73Å; H414-I426 VanDerWaalsContact NE2-CG2 3.29Å; H414-I426 WeakPolarHBondContact NE2-CG2 3.46Å; H414-S433 WeakPolarHBondContact CB-O 3.47Å; H414-S433 PolarHBondContact N-O 3.2Å; H414-S433 PolarHBondContact N-OG 3.12Å; H414-S433 PolarHBondContact ND1-O 2.94Å; H414-F434 HydrophobicContact CB-CD1 3.6Å; H414-F434 HydrophobicContact CB-CE1 3.94Å; H414-F434 HydrophobicContact CB-CG 4.46Å; H414-F434 AromaticContact CG-CD1 3.77Å; H414-F434 AromaticContact CG-CE1 3.58Å; H414-F434 AromaticContact ND1-CD1 3.9Å; H414-F434 AromaticContact ND1-CE1 3.58Å; H414-F434 AromaticContact ND1-CZ 3.97Å; H414-F434 CarbonylContact O-C 3.56Å; H414-H435 PolarHBondContact O-N 3.09Å
415	Q	95.6	Very high	90.4	Very high	41 Å²	41	24.8 Å²	24.8	19%	0.192	14%	0.144	C	C	.	.	S	Bend	trans	-72.1	-11	176	178.3	62.5	18.4	0	0	112.8	E348 Y350 T363 G365 Y421 H435	E348-Q415 WeakPolarHBondContact OE2-CA 3.31Å; E348-Q415 WeakPolarHBondContact OE2-CB 2.88Å; E348-Q415 PolarHBondContact OE2-N 3.49Å; Y350-Q415 HydrophobicContact CE2-CG 4.35Å; T363-Q415 VanDerWaalsContact CB-OE1 3.3Å; T363-Q415 HydrophobicContact CG2-CB 4.23Å; T363-Q415 HydrophobicContact CG2-CG 4.35Å; T363-Q415 PolarHBondContact OG1-OE1 2.94Å; G365-Q415 VanDerWaalsContact C-OE1 3.28Å; Q415-Y421 PolarHBondContact N-OH 2Å; Q415-H435 WeakPolarHBondContact O-CB 3.48Å; Q415-H435 PolarHBondContact O-ND1 3.42Å; Q415-H435 VanDerWaalsContact O-ND1 3.1Å
416	A	94.3	Very high	89.5	Confident	1 Å²	1	24.7 Å²	24.7	1%	0.008	14%	0.143	C	C	.	.	S	Bend	trans	-123	177.8	179.1	0	0	0	0	0	112.5	I141 V142 H414 D420 Y421 H435	I141-A416 HydrophobicContact CG2-CB 4.26Å; V142-A416 HydrophobicContact CG1-CB 3.85Å; H414-A416 PolarHBondContact O-N 3.48Å; A416-D420 HydrophobicContact CB-CB 3.86Å; A416-D420 WeakPolarHBondContact CB-OD2 3.2Å; A416-Y421 HydrophobicContact CB-CE2 3.77Å; A416-Y421 PolarHBondContact N-OH 3.41Å; A416-H435 CarbonylContact C-O 3.51Å; A416-H435 VanDerWaalsContact C-O 3.25Å; A416-H435 PolarHBondContact O-N 3.29Å
417	Q	92.3	Very high	88.6	Confident	31 Å²	31	25.5 Å²	25.5	15%	0.145	15%	0.148	C	C	.	.			trans	-77.2	158.8	176.2	61.7	-173.3	-3.5	0	0	110.6	D419 D420 Y421 H435	Q417-D419 VanDerWaalsContact C-N 3.3Å; Q417-D419 PolarHBondContact O-N 2.84Å; Q417-D420 HydrophobicContact CG-CB 4.26Å; Q417-D420 VanDerWaalsContact CG-CG 3.42Å; Q417-D420 VanDerWaalsContact CG-OD2 3.31Å; Q417-D420 WeakPolarHBondContact CG-OD2 3.44Å; Q417-D420 PolarHBondContact NE2-OD1 3.49Å; Q417-D420 WeakPolarHBondContact O-CB 3.36Å; Q417-D420 PolarHBondContact O-N 3.02Å; Q417-Y421 WeakPolarHBondContact O-CD2 3.06Å; Q417-H435 PolarHBondContact N-O 3.12Å
418	P	91.8	Very high	87.2	Confident	2 Å²	2	28 Å²	28	1%	0.013	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-51.6	-45	-177.3	-27.8	33.6	0	0	0	114.2	D420 Y421 I426 F434 I445 W449	P418-D420 PolarHBondContact O-N 3.41Å; P418-Y421 PolarHBondContact O-N 3.22Å; P418-I426 HydrophobicContact CB-CD1 3.76Å; P418-I426 WeakPolarHBondContact O-CD1 3.5Å; P418-F434 HydrophobicContact CB-CD1 4.34Å; P418-F434 HydrophobicContact CB-CE1 3.95Å; P418-F434 HydrophobicContact CB-CZ 4.1Å; P418-F434 HydrophobicContact CG-CD1 3.71Å; P418-F434 HydrophobicContact CG-CD2 3.89Å; P418-F434 HydrophobicContact CG-CE1 3.72Å; P418-F434 HydrophobicContact CG-CE2 3.91Å; P418-F434 HydrophobicContact CG-CG 3.79Å; P418-F434 HydrophobicContact CG-CZ 3.82Å; P418-I445 HydrophobicContact CG-CD1 4.3Å; P418-I445 HydrophobicContact CG-CG2 3.95Å; P418-W449 HydrophobicContact CB-CD2 3.99Å; P418-W449 HydrophobicContact CB-CE3 4.36Å; P418-W449 HydrophobicContact CB-CH2 4.14Å; P418-W449 HydrophobicContact CB-CZ2 3.72Å; P418-W449 HydrophobicContact CB-CZ3 4.44Å; P418-W449 HydrophobicContact CG-CD2 4Å; P418-W449 HydrophobicContact CG-CG 4.05Å
419	D	89.3	Confident	86	Confident	95 Å²	95	34.5 Å²	34.5	51%	0.508	20%	0.195	S	C	.	.	G	3₁₀ helix	trans	-65.4	-14.2	-176.5	-67	-7.5	0	0	0	114.4	K138 Q417 Y421	K138-D419 HydrophobicContact CD-CB 4.27Å; K138-D419 VanDerWaalsContact CE-CB 3.46Å; K138-D419 WeakPolarHBondContact CE-O 3.38Å; K138-D419 IonicContact NZ-OD2 3.08Å; Q417-D419 VanDerWaalsContact C-N 3.3Å; Q417-D419 PolarHBondContact O-N 2.84Å; D419-Y421 PolarHBondContact O-N 3.47Å
420	D	90.6	Very high	85.4	Confident	12 Å²	12	34.2 Å²	34.2	6%	0.064	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-79.1	-8	177.3	-65.8	-10.4	0	0	0	111.7	K138 S140 I141 V142 A416 Q417 P418	K138-D420 VanDerWaalsContact CE-OD1 3.31Å; K138-D420 WeakPolarHBondContact CE-OD1 2.93Å; K138-D420 IonicContact NZ-OD1 2.72Å; K138-D420 PolarHBondContact NZ-OD1 3.02Å; S140-D420 PolarHBondContact OG-O 2.95Å; I141-D420 WeakPolarHBondContact CG2-OD2 3.14Å; V142-D420 WeakPolarHBondContact CG2-O 3.43Å; A416-D420 HydrophobicContact CB-CB 3.86Å; A416-D420 WeakPolarHBondContact CB-OD2 3.2Å; Q417-D420 HydrophobicContact CG-CB 4.26Å; Q417-D420 VanDerWaalsContact CG-CG 3.42Å; Q417-D420 VanDerWaalsContact CG-OD2 3.31Å; Q417-D420 WeakPolarHBondContact CG-OD2 3.44Å; Q417-D420 PolarHBondContact NE2-OD1 3.49Å; Q417-D420 WeakPolarHBondContact O-CB 3.36Å; Q417-D420 PolarHBondContact O-N 3.02Å; P418-D420 PolarHBondContact O-N 3.41Å
421	Y	89.7	Confident	85.2	Confident	22 Å²	22	34.1 Å²	34.1	9%	0.086	19%	0.193	C	C	.	.	S	Bend	trans	-110.5	143.7	177.6	-56.9	-90.6	0	0	0	111.3	V142 E348 H414 Q415 A416 Q417 P418 D419 I426	V142-Y421 HydrophobicContact CG1-CE1 4.22Å; E348-Y421 PolarHBondContact OE1-OH 3.48Å; H414-Y421 WeakPolarHBondContact CA-OH 3.21Å; H414-Y421 HydrophobicContact CB-CE2 3.67Å; H414-Y421 WeakPolarHBondContact CB-OH 3.18Å; H414-Y421 AromaticContact CD2-CE1 3.97Å; H414-Y421 AromaticContact CD2-CE2 3.81Å; H414-Y421 AromaticContact CD2-CZ 3.73Å; Q415-Y421 PolarHBondContact N-OH 2Å; A416-Y421 HydrophobicContact CB-CE2 3.77Å; A416-Y421 PolarHBondContact N-OH 3.41Å; Q417-Y421 WeakPolarHBondContact O-CD2 3.06Å; P418-Y421 PolarHBondContact O-N 3.22Å; D419-Y421 PolarHBondContact O-N 3.47Å; Y421-I426 HydrophobicContact CD2-CG2 4.36Å; Y421-I426 HydrophobicContact CG-CG2 3.98Å
422	A	84.6	Confident	85.4	Confident	4 Å²	4	32.2 Å²	32.2	3%	0.033	18%	0.181	C	C	.	.			trans	-65.7	143.9	176.5	0	0	0	0	0	112.6	L134 H135 Y156 T424 R425	L134-A422 HydrophobicContact CB-CB 4.37Å; H135-A422 VanDerWaalsContact O-CB 3.31Å; H135-A422 WeakPolarHBondContact O-CB 3.19Å; Y156-A422 WeakPolarHBondContact OH-CB 3.34Å; A422-T424 PolarHBondContact O-N 2.68Å; A422-T424 VanDerWaalsContact O-N 3.11Å; A422-R425 HydrophobicContact CB-CG 4.25Å; A422-R425 VanDerWaalsContact O-CB 3.3Å; A422-R425 WeakPolarHBondContact O-CB 3.39Å; A422-R425 PolarHBondContact O-N 3.46Å
423	G	65.9	Low	85.5	Confident	55 Å²	55	32 Å²	32	57%	0.567	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-24.8	-159.6	0	0	0	0	0	117.8	I426	G423-I426 VanDerWaalsContact O-O 3.13Å
424	T	67.3	Low	85.5	Confident	66 Å²	66	32 Å²	32	41%	0.405	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-13.6	173.7	59.4	0	0	0	0	113.1	L134 D158 A422	L134-T424 WeakPolarHBondContact CD2-OG1 3.24Å; D158-T424 PolarHBondContact OD2-OG1 3.28Å; A422-T424 PolarHBondContact O-N 2.68Å; A422-T424 VanDerWaalsContact O-N 3.11Å
425	R	73.4	Confident	85.4	Confident	40 Å²	40	32.6 Å²	32.6	15%	0.151	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-29.3	179.8	-56.2	-173.3	95.9	171.5	-10.9	112.5	L134 D189 T191 A422	L134-R425 HydrophobicContact CD1-CG 3.31Å; D189-R425 IonicContact OD1-CZ 2.78Å; D189-R425 IonicContact OD1-NH1 2.92Å; D189-R425 PolarHBondContact OD1-NH1 3.44Å; D189-R425 VanDerWaalsContact OD1-NH1 3.08Å; D189-R425 IonicContact OD1-NH2 3.7Å; D189-R425 PolarHBondContact OD1-NH2 3.23Å; D189-R425 IonicContact OD2-CZ 3.54Å; D189-R425 IonicContact OD2-NH1 3.46Å; D189-R425 PolarHBondContact OD2-NH1 3.27Å; D189-R425 IonicContact OD2-NH2 3.92Å; D189-R425 PolarHBondContact OD2-NH2 2.93Å; T191-R425 PolarHBondContact OG1-NH2 3.24Å; A422-R425 HydrophobicContact CB-CG 4.25Å; A422-R425 VanDerWaalsContact O-CB 3.3Å; A422-R425 WeakPolarHBondContact O-CB 3.39Å; A422-R425 PolarHBondContact O-N 3.46Å
426	I	79.3	Confident	85.1	Confident	9 Å²	9	33.4 Å²	33.4	5%	0.046	19%	0.185	C	C	.	.			trans	-118.6	141.7	179.6	62.5	167.6	0	0	0	109.9	H414 P418 Y421 G423 F434 W449	H414-I426 VanDerWaalsContact NE2-CG2 3.29Å; H414-I426 WeakPolarHBondContact NE2-CG2 3.46Å; P418-I426 HydrophobicContact CB-CD1 3.76Å; P418-I426 WeakPolarHBondContact O-CD1 3.5Å; Y421-I426 HydrophobicContact CD2-CG2 4.36Å; Y421-I426 HydrophobicContact CG-CG2 3.98Å; G423-I426 VanDerWaalsContact O-O 3.13Å; I426-F434 HydrophobicContact CD1-CE1 4.23Å; I426-F434 HydrophobicContact CD1-CZ 4.26Å; I426-W449 HydrophobicContact CB-CZ3 4.39Å; I426-W449 HydrophobicContact CD1-CE3 4.43Å; I426-W449 HydrophobicContact CD1-CH2 3.61Å; I426-W449 HydrophobicContact CD1-CZ2 4.46Å; I426-W449 HydrophobicContact CD1-CZ3 3.59Å; I426-W449 HydrophobicContact CG1-CH2 4.06Å; I426-W449 HydrophobicContact CG1-CZ3 3.89Å
427	T	74.9	Confident	84.8	Confident	46 Å²	46	34.7 Å²	34.7	28%	0.282	19%	0.191	S	C	.	.			trans	-131.4	132.4	176.4	55.5	0	0	0	0	109.2	Q429 H430 S431	T427-Q429 PolarHBondContact O-N 2.89Å; T427-H430 PolarHBondContact O-N 3.2Å; T427-H430 WeakPolarHBondContact OG1-CB 3.31Å; T427-H430 PolarHBondContact OG1-ND1 3.14Å; T427-S431 PolarHBondContact O-N 3.35Å; T427-S431 PolarHBondContact O-OG 2.81Å
428	P	70.1	Confident	84.4	Confident	57 Å²	57	43.4 Å²	43.4	37%	0.37	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-18.6	178.4	-26.2	33	0	0	0	114.3	R330 W449	R330-P428 PolarHBondContact NH1-O 3.04Å; R330-P428 PolarHBondContact NH2-O 2.57Å; P428-W449 HydrophobicContact CB-CE3 4.04Å; P428-W449 HydrophobicContact CB-CZ3 4.41Å; P428-W449 HydrophobicContact CG-CD2 4.28Å; P428-W449 HydrophobicContact CG-CE3 3.73Å; P428-W449 HydrophobicContact CG-CH2 4.14Å; P428-W449 HydrophobicContact CG-CZ3 3.65Å
429	Q	71.6	Confident	84.1	Confident	138 Å²	138	48.6 Å²	48.6	65%	0.645	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-24.2	-176.9	-67.5	151.6	0.2	0	0	113	T427	T427-Q429 PolarHBondContact O-N 2.89Å
430	H	84.8	Confident	84.1	Confident	43 Å²	43	46 Å²	46	20%	0.199	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116	-28.1	-169.5	-58.2	143.7	0	0	0	114	L229 L412 T427 V432	L229-H430 HydrophobicContact CB-CB 4.05Å; L412-H430 HydrophobicContact CD2-CB 3.77Å; L412-H430 WeakPolarHBondContact CD2-O 3.49Å; T427-H430 PolarHBondContact O-N 3.2Å; T427-H430 WeakPolarHBondContact OG1-CB 3.31Å; T427-H430 PolarHBondContact OG1-ND1 3.14Å; H430-V432 PolarHBondContact O-N 2.75Å
431	S	92.8	Very high	84.3	Confident	2 Å²	2	50 Å²	50	1%	0.014	27%	0.268	C	S	.	.			trans	-55.1	135.7	-176.3	-57.7	0	0	0	0	112.2	R330 T427 F434 L450	R330-S431 VanDerWaalsContact CD-O 3.23Å; R330-S431 WeakPolarHBondContact CD-O 3.49Å; R330-S431 PolarHBondContact NH1-O 2.97Å; T427-S431 PolarHBondContact O-N 3.35Å; T427-S431 PolarHBondContact O-OG 2.81Å; S431-F434 WeakPolarHBondContact OG-CZ 3.31Å; S431-L450 WeakPolarHBondContact O-CD2 3.06Å
432	V	95.9	Very high	84.6	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	27%	0.27	C	S	.	.			trans	-94.7	-42.5	177.9	165.9	0	0	0	0	110.5	I326 S327 R330 L331 L334 L412 F413 H430	I326-V432 CarbonylContact C-O 3.55Å; I326-V432 WeakPolarHBondContact CA-O 3.43Å; I326-V432 HydrophobicContact CD1-CG1 4.33Å; I326-V432 HydrophobicContact CG1-CG1 4.08Å; I326-V432 WeakPolarHBondContact CG1-O 3.42Å; S327-V432 PolarHBondContact N-O 3.27Å; R330-V432 HydrophobicContact CB-CG2 4.21Å; L331-V432 HydrophobicContact CB-CG1 4.09Å; L331-V432 HydrophobicContact CD1-CG1 4.22Å; L334-V432 HydrophobicContact CD2-CG2 4.26Å; L412-V432 HydrophobicContact CB-CB 4Å; L412-V432 HydrophobicContact CB-CG2 3.73Å; L412-V432 HydrophobicContact CD1-CG2 4.04Å; L412-V432 WeakPolarHBondContact O-CA 3.41Å; L412-V432 WeakPolarHBondContact O-CB 3.34Å; L412-V432 PolarHBondContact O-N 2.7Å; F413-V432 HydrophobicContact CD1-CG1 4.29Å; F413-V432 HydrophobicContact CE1-CG1 3.86Å; F413-V432 HydrophobicContact CE2-CB 4.44Å; F413-V432 HydrophobicContact CE2-CG1 4.16Å; F413-V432 HydrophobicContact CZ-CG1 3.8Å; H430-V432 PolarHBondContact O-N 2.75Å
433	S	97.4	Very high	85.1	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	158.9	-178.9	59.8	0	0	0	0	113.5	L325 G366 L412 F413 H414	L325-S433 CarbonylContact O-C 3.55Å; L325-S433 WeakPolarHBondContact O-CA 3.31Å; L325-S433 WeakPolarHBondContact O-CB 3.12Å; G366-S433 VanDerWaalsContact O-CB 3.27Å; G366-S433 WeakPolarHBondContact O-CB 3.29Å; G366-S433 PolarHBondContact O-OG 3.25Å; L412-S433 PolarHBondContact O-N 3.07Å; F413-S433 WeakPolarHBondContact CA-OG 3Å; F413-S433 WeakPolarHBondContact CD1-OG 3.32Å; H414-S433 WeakPolarHBondContact CB-O 3.47Å; H414-S433 PolarHBondContact N-O 3.2Å; H414-S433 PolarHBondContact N-OG 3.12Å; H414-S433 PolarHBondContact ND1-O 2.94Å
434	F	97.1	Very high	86.6	Confident	2 Å²	2	51.3 Å²	51.3	1%	0.009	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	160	165.9	-69.5	-73.9	0	0	0	109	L325 H414 P418 I426 S431 W449 L450	L325-F434 PolarHBondContact N-O 3.2Å; L325-F434 PolarHBondContact O-N 3.24Å; H414-F434 HydrophobicContact CB-CD1 3.6Å; H414-F434 HydrophobicContact CB-CE1 3.94Å; H414-F434 HydrophobicContact CB-CG 4.46Å; H414-F434 AromaticContact CG-CD1 3.77Å; H414-F434 AromaticContact CG-CE1 3.58Å; H414-F434 AromaticContact ND1-CD1 3.9Å; H414-F434 AromaticContact ND1-CE1 3.58Å; H414-F434 AromaticContact ND1-CZ 3.97Å; H414-F434 CarbonylContact O-C 3.56Å; P418-F434 HydrophobicContact CB-CD1 4.34Å; P418-F434 HydrophobicContact CB-CE1 3.95Å; P418-F434 HydrophobicContact CB-CZ 4.1Å; P418-F434 HydrophobicContact CG-CD1 3.71Å; P418-F434 HydrophobicContact CG-CD2 3.89Å; P418-F434 HydrophobicContact CG-CE1 3.72Å; P418-F434 HydrophobicContact CG-CE2 3.91Å; P418-F434 HydrophobicContact CG-CG 3.79Å; P418-F434 HydrophobicContact CG-CZ 3.82Å; I426-F434 HydrophobicContact CD1-CE1 4.23Å; I426-F434 HydrophobicContact CD1-CZ 4.26Å; S431-F434 WeakPolarHBondContact OG-CZ 3.31Å; F434-W449 HydrophobicContact CD2-CB 4.26Å; F434-W449 HydrophobicContact CE2-CB 3.8Å; F434-W449 HydrophobicContact CE2-CD2 4.28Å; F434-W449 HydrophobicContact CE2-CE3 4.06Å; F434-W449 HydrophobicContact CE2-CG 4.2Å; F434-W449 HydrophobicContact CZ-CD2 4.44Å; F434-W449 AromaticContact CZ-CE3 3.95Å; F434-W449 HydrophobicContact CZ-CE3 3.95Å; F434-L450 HydrophobicContact CD2-CD1 4Å; F434-L450 HydrophobicContact CD2-CD2 3.91Å; F434-L450 HydrophobicContact CD2-CG 3.98Å; F434-L450 HydrophobicContact CE2-CD2 4.03Å; F434-L450 HydrophobicContact CE2-CG 4.37Å
435	H	95.9	Very high	87.9	Confident	19 Å²	19	49.4 Å²	49.4	9%	0.088	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	165.5	-176.2	-179.5	-108.2	0	0	0	111.9	D323 G365 H414 Q415 A416 Q417	D323-H435 PolarHBondContact O-CD2 3.18Å; D323-H435 IonicContact OD1-CD2 2.77Å; D323-H435 IonicContact OD1-NE2 2.81Å; D323-H435 PolarHBondContact OD1-NE2 3.46Å; D323-H435 IonicContact OD2-NE2 3.07Å; G365-H435 VanDerWaalsContact CA-CD2 3.45Å; G365-H435 WeakPolarHBondContact CA-CD2 3.45Å; G365-H435 WeakPolarHBondContact O-CB 3.46Å; G365-H435 PolarHBondContact O-CD2 3.43Å; H414-H435 PolarHBondContact O-N 3.09Å; Q415-H435 WeakPolarHBondContact O-CB 3.48Å; Q415-H435 PolarHBondContact O-ND1 3.42Å; Q415-H435 VanDerWaalsContact O-ND1 3.1Å; A416-H435 CarbonylContact C-O 3.51Å; A416-H435 VanDerWaalsContact C-O 3.25Å; A416-H435 PolarHBondContact O-N 3.29Å; Q417-H435 PolarHBondContact N-O 3.12Å
436	K	89.4	Confident	88.9	Confident	57 Å²	57	47.7 Å²	47.7	25%	0.248	25%	0.251	C	S	.	.			trans	72.6	104.2	-176.5	-50.6	178.1	-176.2	165.8	0	113.7	I141 D323 W438	I141-K436 VanDerWaalsContact CD1-NZ 3.28Å; D323-K436 PolarHBondContact O-N 3.15Å; K436-W438 PolarHBondContact O-N 3.38Å; K436-W438 VanDerWaalsContact O-N 3.12Å
437	H	87.6	Confident	89.6	Confident	29 Å²	29	50.4 Å²	50.4	13%	0.134	27%	0.268	C	S	.	.			trans	-74.5	11.1	169.6	-64.6	177.1	0	0	0	114	D322 D323 P442	D322-H437 PolarHBondContact O-CE1 3.15Å; D323-H437 HydrophobicContact CB-CB 4.24Å; D323-H437 PolarHBondContact O-CD2 3.1Å; H437-P442 HydrophobicContact CB-CB 4.35Å; H437-P442 HydrophobicContact CB-CG 4.34Å; H437-P442 VanDerWaalsContact CD2-CB 3.45Å; H437-P442 WeakPolarHBondContact CD2-CB 3.42Å
438	W	82.6	Confident	90.5	Very high	213 Å²	213	53.6 Å²	53.6	81%	0.807	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	127.6	-170.3	-176	-74	0	0	0	111.9	K436 V440	K436-W438 PolarHBondContact O-N 3.38Å; K436-W438 VanDerWaalsContact O-N 3.12Å; W438-V440 PolarHBondContact O-N 3.01Å; W438-V440 VanDerWaalsContact O-N 3.14Å
439	S	85.6	Confident	91.6	Very high	112 Å²	112	53.2 Å²	53.2	78%	0.783	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.9	25.3	178.2	-63.7	0	0	0	0	115.2
440	V	89.8	Confident	92.6	Very high	41 Å²	41	46.7 Å²	46.7	25%	0.248	24%	0.244	C	C	.	.	S	Bend	trans	-134.1	161.1	177.1	-64.9	0	0	0	0	110.4	W438 P442 I445	W438-V440 PolarHBondContact O-N 3.01Å; W438-V440 VanDerWaalsContact O-N 3.14Å; V440-P442 VanDerWaalsContact O-CD 3.24Å; V440-P442 WeakPolarHBondContact O-CD 3.25Å; V440-I445 HydrophobicContact CB-CG1 4.37Å
441	D	95.1	Very high	93	Very high	96 Å²	96	48.8 Å²	48.8	51%	0.513	25%	0.254	S	S	.	.			trans	-88.5	103.2	164	177	-9.8	0	0	0	108.6	V443 A444 I445	D441-V443 VanDerWaalsContact C-N 3.25Å; D441-V443 PolarHBondContact O-N 3.49Å; D441-V443 WeakPolarHBondContact OD1-CB 3.4Å; D441-V443 PolarHBondContact OD1-N 2.89Å; D441-A444 HydrophobicContact CB-CB 3.83Å; D441-A444 PolarHBondContact O-N 3.5Å; D441-A444 PolarHBondContact OD1-N 3.23Å; D441-A444 VanDerWaalsContact OD1-N 3.11Å; D441-I445 WeakPolarHBondContact O-CG1 3.43Å; D441-I445 PolarHBondContact O-N 2.86Å
442	P	95.6	Very high	92.4	Very high	18 Å²	18	49 Å²	49	12%	0.117	26%	0.255	C	S	.	.	H	α-helix	trans	-68	-25.4	-175.3	30	-37.1	0	0	0	112.9	V258 L325 H437 V440 I445 Y446	V258-P442 HydrophobicContact CB-CG 4.45Å; V258-P442 HydrophobicContact CG1-CB 3.83Å; V258-P442 HydrophobicContact CG1-CG 3.74Å; V258-P442 HydrophobicContact CG2-CG 3.86Å; L325-P442 HydrophobicContact CD1-CB 4.04Å; L325-P442 WeakPolarHBondContact CD1-O 3.17Å; L325-P442 HydrophobicContact CD2-CB 4.33Å; H437-P442 HydrophobicContact CB-CB 4.35Å; H437-P442 HydrophobicContact CB-CG 4.34Å; H437-P442 VanDerWaalsContact CD2-CB 3.45Å; H437-P442 WeakPolarHBondContact CD2-CB 3.42Å; V440-P442 VanDerWaalsContact O-CD 3.24Å; V440-P442 WeakPolarHBondContact O-CD 3.25Å; P442-I445 PolarHBondContact O-N 3.29Å; P442-Y446 WeakPolarHBondContact O-CB 3.43Å; P442-Y446 PolarHBondContact O-N 2.87Å
443	V	96.2	Very high	91	Very high	56 Å²	56	53.7 Å²	53.7	34%	0.339	29%	0.288	S	S	.	.	H	α-helix	trans	-71.7	-40.9	175.9	179.7	0	0	0	0	109.8	V258 T262 D441 Y446 T447	V258-V443 HydrophobicContact CG1-CG2 4.34Å; T262-V443 HydrophobicContact CG2-CG1 4.45Å; T262-V443 HydrophobicContact CG2-CG2 4.19Å; D441-V443 VanDerWaalsContact C-N 3.25Å; D441-V443 PolarHBondContact O-N 3.49Å; D441-V443 WeakPolarHBondContact OD1-CB 3.4Å; D441-V443 PolarHBondContact OD1-N 2.89Å; V443-Y446 PolarHBondContact O-N 2.03Å; V443-T447 WeakPolarHBondContact O-CB 3.35Å; V443-T447 PolarHBondContact O-N 3.28Å; V443-T447 PolarHBondContact O-OG1 3.27Å
444	A	95.7	Very high	89.4	Confident	34 Å²	34	59.2 Å²	59.2	28%	0.281	31%	0.313	S	S	.	.	H	α-helix	trans	-63.7	-42.8	172.9	0	0	0	0	0	111.8	D441 T447 N448	D441-A444 HydrophobicContact CB-CB 3.83Å; D441-A444 PolarHBondContact O-N 3.5Å; D441-A444 PolarHBondContact OD1-N 3.23Å; D441-A444 VanDerWaalsContact OD1-N 3.11Å; A444-T447 PolarHBondContact O-N 2.62Å; A444-N448 WeakPolarHBondContact O-CB 3.33Å; A444-N448 VanDerWaalsContact O-CG 3.25Å; A444-N448 PolarHBondContact O-N 3.03Å; A444-N448 PolarHBondContact O-ND2 3.48Å
445	I	94.7	Very high	87.4	Confident	25 Å²	25	61.5 Å²	61.5	13%	0.128	33%	0.325	C	S	.	.	H	α-helix	trans	-58.5	-50.1	174.6	-65.2	-62.7	0	0	0	110.5	L325 P418 V440 D441 P442 T447 N448 W449	L325-I445 HydrophobicContact CD1-CB 3.89Å; L325-I445 HydrophobicContact CD1-CG2 3.7Å; P418-I445 HydrophobicContact CG-CD1 4.3Å; P418-I445 HydrophobicContact CG-CG2 3.95Å; V440-I445 HydrophobicContact CB-CG1 4.37Å; D441-I445 WeakPolarHBondContact O-CG1 3.43Å; D441-I445 PolarHBondContact O-N 2.86Å; P442-I445 PolarHBondContact O-N 3.29Å; I445-T447 VanDerWaalsContact C-N 3.34Å; I445-T447 PolarHBondContact O-N 3.07Å; I445-N448 PolarHBondContact O-N 3.09Å; I445-W449 VanDerWaalsContact O-CB 3.3Å; I445-W449 WeakPolarHBondContact O-CB 3.24Å; I445-W449 PolarHBondContact O-N 2.79Å
446	Y	95.6	Very high	84.9	Confident	4 Å²	4	69.3 Å²	69.3	2%	0.016	36%	0.359	C	S	.	.	I	π-helix	trans	-57.4	-47.8	177.9	179.2	-100.1	0	0	0	112	T262 W263 P442 V443 N448 L450 Q451	T262-Y446 HydrophobicContact CG2-CD1 3.82Å; T262-Y446 HydrophobicContact CG2-CG 3.84Å; W263-Y446 HydrophobicContact CB-CD2 4.46Å; W263-Y446 HydrophobicContact CB-CE2 3.64Å; W263-Y446 HydrophobicContact CG-CE2 4.44Å; P442-Y446 WeakPolarHBondContact O-CB 3.43Å; P442-Y446 PolarHBondContact O-N 2.87Å; V443-Y446 PolarHBondContact O-N 2.03Å; Y446-N448 VanDerWaalsContact C-N 3.34Å; Y446-N448 PolarHBondContact O-N 2.86Å; Y446-L450 HydrophobicContact CD2-CB 3.64Å; Y446-L450 HydrophobicContact CD2-CD1 4.16Å; Y446-L450 HydrophobicContact CE2-CB 3.87Å; Y446-L450 HydrophobicContact CG-CB 4.44Å; Y446-L450 CarbonylContact O-C 3.56Å; Y446-L450 WeakPolarHBondContact O-CA 3.48Å; Y446-L450 PolarHBondContact O-N 2.89Å; Y446-Q451 HydrophobicContact CD1-CB 4.37Å; Y446-Q451 HydrophobicContact CE1-CB 4.06Å; Y446-Q451 HydrophobicContact CE1-CG 4.43Å; Y446-Q451 PolarHBondContact O-N 3.46Å
447	T	94.4	Very high	82.5	Confident	66 Å²	66	73.4 Å²	73.4	41%	0.405	38%	0.384	S	S	.	.	I	π-helix	trans	-60.5	-43.2	-178.7	-57.3	0	0	0	0	111.9	V443 A444 I445	V443-T447 WeakPolarHBondContact O-CB 3.35Å; V443-T447 PolarHBondContact O-N 3.28Å; V443-T447 PolarHBondContact O-OG1 3.27Å; A444-T447 PolarHBondContact O-N 2.62Å; I445-T447 VanDerWaalsContact C-N 3.34Å; I445-T447 PolarHBondContact O-N 3.07Å
448	N	92.5	Very high	80.4	Confident	113 Å²	113	75.2 Å²	75.2	60%	0.604	39%	0.392	S	S	*	.	I	π-helix	trans	-81.3	-31.9	-175.2	-67.7	-22.9	0	0	0	113.3	A444 I445 Y446	A444-N448 WeakPolarHBondContact O-CB 3.33Å; A444-N448 VanDerWaalsContact O-CG 3.25Å; A444-N448 PolarHBondContact O-N 3.03Å; A444-N448 PolarHBondContact O-ND2 3.48Å; I445-N448 PolarHBondContact O-N 3.09Å; Y446-N448 VanDerWaalsContact C-N 3.34Å; Y446-N448 PolarHBondContact O-N 2.86Å
449	W	92.9	Very high	78	Confident	50 Å²	50	75.8 Å²	75.8	19%	0.189	41%	0.41	C	S	.	.	I	π-helix	trans	-113.2	-29	-168.8	-70.3	90.2	0	0	0	115.1	R330 P418 I426 P428 F434 I445	R330-W449 PolarHBondContact NH1-O 2.67Å; P418-W449 HydrophobicContact CB-CD2 3.99Å; P418-W449 HydrophobicContact CB-CE3 4.36Å; P418-W449 HydrophobicContact CB-CH2 4.14Å; P418-W449 HydrophobicContact CB-CZ2 3.72Å; P418-W449 HydrophobicContact CB-CZ3 4.44Å; P418-W449 HydrophobicContact CG-CD2 4Å; P418-W449 HydrophobicContact CG-CG 4.05Å; I426-W449 HydrophobicContact CB-CZ3 4.39Å; I426-W449 HydrophobicContact CD1-CE3 4.43Å; I426-W449 HydrophobicContact CD1-CH2 3.61Å; I426-W449 HydrophobicContact CD1-CZ2 4.46Å; I426-W449 HydrophobicContact CD1-CZ3 3.59Å; I426-W449 HydrophobicContact CG1-CH2 4.06Å; I426-W449 HydrophobicContact CG1-CZ3 3.89Å; P428-W449 HydrophobicContact CB-CE3 4.04Å; P428-W449 HydrophobicContact CB-CZ3 4.41Å; P428-W449 HydrophobicContact CG-CD2 4.28Å; P428-W449 HydrophobicContact CG-CE3 3.73Å; P428-W449 HydrophobicContact CG-CH2 4.14Å; P428-W449 HydrophobicContact CG-CZ3 3.65Å; F434-W449 HydrophobicContact CD2-CB 4.26Å; F434-W449 HydrophobicContact CE2-CB 3.8Å; F434-W449 HydrophobicContact CE2-CD2 4.28Å; F434-W449 HydrophobicContact CE2-CE3 4.06Å; F434-W449 HydrophobicContact CE2-CG 4.2Å; F434-W449 HydrophobicContact CZ-CD2 4.44Å; F434-W449 AromaticContact CZ-CE3 3.95Å; F434-W449 HydrophobicContact CZ-CE3 3.95Å; I445-W449 VanDerWaalsContact O-CB 3.3Å; I445-W449 WeakPolarHBondContact O-CB 3.24Å; I445-W449 PolarHBondContact O-N 2.79Å
450	L	94.3	Very high	77.7	Confident	0 Å²	0	74 Å²	74	0%	0	39%	0.391	C	S	.	.	I	π-helix	trans	-125.1	-20.8	-165.9	-65.3	177	0	0	0	113.9	L325 S327 S431 F434 Y446 D452	L325-L450 HydrophobicContact CB-CD1 3.49Å; L325-L450 VanDerWaalsContact CB-CD1 3.49Å; L325-L450 WeakPolarHBondContact O-CD1 3.48Å; S327-L450 WeakPolarHBondContact CB-O 3.37Å; S327-L450 PolarHBondContact OG-O 2.82Å; S431-L450 WeakPolarHBondContact O-CD2 3.06Å; F434-L450 HydrophobicContact CD2-CD1 4Å; F434-L450 HydrophobicContact CD2-CD2 3.91Å; F434-L450 HydrophobicContact CD2-CG 3.98Å; F434-L450 HydrophobicContact CE2-CD2 4.03Å; F434-L450 HydrophobicContact CE2-CG 4.37Å; Y446-L450 HydrophobicContact CD2-CB 3.64Å; Y446-L450 HydrophobicContact CD2-CD1 4.16Å; Y446-L450 HydrophobicContact CE2-CB 3.87Å; Y446-L450 HydrophobicContact CG-CB 4.44Å; Y446-L450 CarbonylContact O-C 3.56Å; Y446-L450 WeakPolarHBondContact O-CA 3.48Å; Y446-L450 PolarHBondContact O-N 2.89Å; L450-D452 PolarHBondContact O-N 2.83Å
451	Q	91.9	Very high	77	Confident	88 Å²	88	75.7 Å²	75.7	41%	0.411	40%	0.399	S	S	.	.			trans	-65	118	176.2	-174.2	170.7	-6.1	0	0	109.7	Y446 S453	Y446-Q451 HydrophobicContact CD1-CB 4.37Å; Y446-Q451 HydrophobicContact CE1-CB 4.06Å; Y446-Q451 HydrophobicContact CE1-CG 4.43Å; Y446-Q451 PolarHBondContact O-N 3.46Å; Q451-S453 PolarHBondContact O-N 2.83Å
452	D	80.7	Confident	76	Confident	7 Å²	7	74.6 Å²	74.6	4%	0.037	39%	0.392	C	S	.	.			trans	-85.5	113.1	-178.7	-160	-36.4	0	0	0	110.3	P329 R330 R333 L450 H454 L455	P329-D452 HydrophobicContact CB-CB 4.04Å; P329-D452 HydrophobicContact CG-CB 4.3Å; R330-D452 WeakPolarHBondContact CG-OD2 3.24Å; R330-D452 IonicContact NE-OD2 3.99Å; R333-D452 IonicContact CZ-OD2 3.91Å; R333-D452 IonicContact NH1-OD1 3.65Å; R333-D452 IonicContact NH1-OD2 3.93Å; R333-D452 PolarHBondContact NH1-OD2 2.53Å; R333-D452 IonicContact NH2-OD1 2.7Å; R333-D452 PolarHBondContact NH2-OD1 2.97Å; R333-D452 IonicContact NH2-OD2 3.61Å; R333-D452 PolarHBondContact NH2-OD2 3.1Å; L450-D452 PolarHBondContact O-N 2.83Å; D452-H454 VanDerWaalsContact C-N 3.26Å; D452-H454 PolarHBondContact O-N 3.15Å; D452-H454 WeakPolarHBondContact OD1-CB 3.28Å; D452-H454 IonicContact OD1-CD2 3.62Å; D452-H454 IonicContact OD1-CG 2.73Å; D452-H454 PolarHBondContact OD1-N 3.25Å; D452-L455 HydrophobicContact CB-CG 4.4Å; D452-L455 WeakPolarHBondContact O-CD1 3.42Å; D452-L455 WeakPolarHBondContact O-CG 3.44Å
453	S	66.4	Low	74.9	Confident	98 Å²	98	77.9 Å²	77.9	69%	0.685	41%	0.409	S	S	*	.	G	3₁₀ helix	trans	-74.4	-14.1	178.9	53.2	0	0	0	0	113.3	Q451 L455	Q451-S453 PolarHBondContact O-N 2.83Å; S453-L455 VanDerWaalsContact C-N 3.27Å; S453-L455 PolarHBondContact O-N 3.34Å
454	H	63.2	Low	73.5	Confident	116 Å²	116	79.3 Å²	79.3	54%	0.537	41%	0.413	S	S	.	.	G	3₁₀ helix	trans	-84.8	7.8	179.5	-65.1	-80.6	0	0	0	114.1	D452 K456 D457	D452-H454 VanDerWaalsContact C-N 3.26Å; D452-H454 PolarHBondContact O-N 3.15Å; D452-H454 WeakPolarHBondContact OD1-CB 3.28Å; D452-H454 IonicContact OD1-CD2 3.62Å; D452-H454 IonicContact OD1-CG 2.73Å; D452-H454 PolarHBondContact OD1-N 3.25Å; H454-K456 PolarHBondContact O-N 3.01Å; H454-D457 PolarHBondContact O-N 3.42Å
455	L	55.8	Low	72.1	Confident	50 Å²	50	82.3 Å²	82.3	26%	0.262	42%	0.422	S	S	.	.	G	3₁₀ helix	trans	-60.6	-11.1	175	-79.2	167.1	0	0	0	114.5	H266 P329 D452 S453 D457	H266-L455 WeakPolarHBondContact CE1-CD1 3.17Å; P329-L455 HydrophobicContact CB-CD2 4.17Å; P329-L455 HydrophobicContact CG-CD1 4.42Å; P329-L455 HydrophobicContact CG-CD2 3.75Å; P329-L455 HydrophobicContact CG-CG 4.31Å; D452-L455 HydrophobicContact CB-CG 4.4Å; D452-L455 WeakPolarHBondContact O-CD1 3.42Å; D452-L455 WeakPolarHBondContact O-CG 3.44Å; S453-L455 VanDerWaalsContact C-N 3.27Å; S453-L455 PolarHBondContact O-N 3.34Å; L455-D457 VanDerWaalsContact C-N 3.28Å; L455-D457 PolarHBondContact O-N 3.15Å
456	K	42.4	Very low	70.4	Confident	183 Å²	183	86.4 Å²	86.4	80%	0.796	44%	0.443	S	S	*	.	G	3₁₀ helix	trans	-71.8	-16.3	-178.9	-72	-175.2	177.4	179.7	0	114.4	H454	H454-K456 PolarHBondContact O-N 3.01Å
457	D	39	Very low	68.5	Low	142 Å²	142	92.8 Å²	92.8	76%	0.759	48%	0.476	S	S	*	.	G	3₁₀ helix	trans	-98.7	4.2	-177.2	-61.4	-29.2	0	0	0	113.6	H454 L455	H454-D457 PolarHBondContact O-N 3.42Å; L455-D457 VanDerWaalsContact C-N 3.28Å; L455-D457 PolarHBondContact O-N 3.15Å
458	E	43.8	Very low	66.3	Low	67 Å²	67	95 Å²	95	31%	0.313	48%	0.481	S	S	.	.			trans	-110.2	15.1	-179	-67.6	-167	-173.9	0	0	114.4	R332	R332-E458 IonicContact CZ-OE2 3.61Å; R332-E458 VanDerWaalsContact CZ-OE2 3.29Å; R332-E458 IonicContact NH1-OE1 3.49Å; R332-E458 IonicContact NH1-OE2 3.5Å; R332-E458 PolarHBondContact NH1-OE2 2.94Å; R332-E458 IonicContact NH2-OE1 2.89Å; R332-E458 IonicContact NH2-OE2 3.66Å; R332-E458 PolarHBondContact NH2-OE2 2.6Å
459	L	33.2	Very low	64	Low	226 Å²	226	93.4 Å²	93.4	100%	1.183	47%	0.47	S	S	*	.			trans	-95.1	0	175.9	-92.5	163	0	0	0	112.6

Retrieved 459 of 459 residues in 543.9 ms (Link to these results)

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